N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide

C19H25N3O3S — CID 119468452

IUPACN-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
SMILESNCC1CCCCN1C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H25N3O3S/c20-14-17-7-3-4-12-22(17)19(23)10-11-21-26(24,25)18-9-8-15-5-1-2-6-16(15)13-18/h1-2,5-6,8-9,13,17,21H,3-4,7,10-12,14,20H2
InChIKeyDQQAYIPNGZBTQV-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.85
Rot. Bonds6

About N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide

N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide (PubChem CID 119468452) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
PubChem CID119468452
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
SMILESNCC1CCCCN1C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H25N3O3S/c20-14-17-7-3-4-12-22(17)19(23)10-11-21-26(24,25)18-9-8-15-5-1-2-6-16(15)13-18/h1-2,5-6,8-9,13,17,21H,3-4,7,10-12,14,20H2
InChIKeyDQQAYIPNGZBTQV-UHFFFAOYSA-N
XLogP1.85
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]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

N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119633298
N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide
CID 55925214
(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366041
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119633825
N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 56550806
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
CID 119380130
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119634497
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741
N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide
CID 22500529
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414480
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
CID 119466628

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide (CID 119468452) is N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide is NCC1CCCCN1C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide?
The InChIKey is DQQAYIPNGZBTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c20-14-17-7-3-4-12-22(17)19(23)10-11-21-26(24,25)18-9-8-15-5-1-2-6-16(15)13-18/h1-2,5-6,8-9,13,17,21H,3-4,7,10-12,14,20H2.
What are the key properties of N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide?
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide has a molecular weight of 375.49 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 119468452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).