N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide

C24H33ClN4O3S — CID 70334028

IUPACN-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide
SMILESCC(C)N1CCC(N2CCC[C@H](N(CN)S(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)CC1
InChIInChI=1S/C24H33ClN4O3S/c1-17(2)27-12-9-21(10-13-27)28-11-3-4-23(24(28)30)29(16-26)33(31,32)22-8-6-18-14-20(25)7-5-19(18)15-22/h5-8,14-15,17,21,23H,3-4,9-13,16,26H2,1-2H3/t23-/m0/s1
InChIKeyRTUQIZCYLHVRGB-QHCPKHFHSA-N
MW493.07 g/mol
LogP3.26
Rot. Bonds6

About N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide

N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 70334028) has the molecular formula C24H33ClN4O3S and a molecular weight of 493.07 g/mol. Its IUPAC name is N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide
PubChem CID70334028
Molecular FormulaC24H33ClN4O3S
Molecular Weight493.07 g/mol
Exact Mass492.20
IUPAC NameN-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide
SMILESCC(C)N1CCC(N2CCC[C@H](N(CN)S(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)CC1
InChIInChI=1S/C24H33ClN4O3S/c1-17(2)27-12-9-21(10-13-27)28-11-3-4-23(24(28)30)29(16-26)33(31,32)22-8-6-18-14-20(25)7-5-19(18)15-22/h5-8,14-15,17,21,23H,3-4,9-13,16,26H2,1-2H3/t23-/m0/s1
InChIKeyRTUQIZCYLHVRGB-QHCPKHFHSA-N
XLogP3.26
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.07
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(cyanomethyl)-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 11271771
6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 11247921
methyl 2-[(6-chloro-1-benzothiophen-2-yl)sulfonyl-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]amino]acetate
CID 11168514
(2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 69361639
2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]amino]acetic acid
CID 10279694
(2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-ethyl-N-methylpropanamide
CID 10239102
6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
CID 20581375
2-methyl-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]quinoline-6-sulfonamide
CID 11270743
(2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 69360293
2-[(6-chloronaphthalen-2-yl)sulfonyl-[2-oxo-1-[1-oxo-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-yl]pyrrolidin-3-yl]amino]acetic acid
CID 22017031
methyl 2-[(6-chloronaphthalen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetate
CID 10099742
(2S)-2-[(3S)-3-[(3-amino-3-oxopropyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-piperidin-1-ylethyl)-N-propan-2-ylpropanamide
CID 10240164

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide (CID 70334028) is N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide is CC(C)N1CCC(N2CCC[C@H](N(CN)S(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)CC1.
What is the InChIKey of N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is RTUQIZCYLHVRGB-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H33ClN4O3S/c1-17(2)27-12-9-21(10-13-27)28-11-3-4-23(24(28)30)29(16-26)33(31,32)22-8-6-18-14-20(25)7-5-19(18)15-22/h5-8,14-15,17,21,23H,3-4,9-13,16,26H2,1-2H3/t23-/m0/s1.
What are the key properties of N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide?
N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 493.07 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-6-chloro-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 70334028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).