ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide

C19H34N4O2S — CID 47062228

IUPACethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
SMILESCC.CC1CCN(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)CC1
InChIInChI=1S/C17H28N4O2S.C2H6/c1-15-6-11-21(12-7-15)24(22,23)19-14-16-5-8-18-17(13-16)20-9-3-2-4-10-20;1-2/h5,8,13,15,19H,2-4,6-7,9-12,14H2,1H3;1-2H3
InChIKeyDAXQGJPVRKLFRE-UHFFFAOYSA-N
MW382.57 g/mol
LogP3.16
Rot. Bonds5

About ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide

ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide (PubChem CID 47062228) has the molecular formula C19H34N4O2S and a molecular weight of 382.57 g/mol. Its IUPAC name is ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Nameethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
PubChem CID47062228
Molecular FormulaC19H34N4O2S
Molecular Weight382.57 g/mol
Exact Mass382.24
IUPAC Nameethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
SMILESCC.CC1CCN(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)CC1
InChIInChI=1S/C17H28N4O2S.C2H6/c1-15-6-11-21(12-7-15)24(22,23)19-14-16-5-8-18-17(13-16)20-9-3-2-4-10-20;1-2/h5,8,13,15,19H,2-4,6-7,9-12,14H2,1H3;1-2H3
InChIKeyDAXQGJPVRKLFRE-UHFFFAOYSA-N
XLogP3.16
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-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

(3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35323796
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62284718
2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583669
6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 55874135
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35388805
1,2-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]imidazole-4-sulfonamide
CID 47092488
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine
CID 47027396
4-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-piperidin-1-ylpyridine
CID 87024756
3,4-difluoro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583572
N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide
CID 169029487

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide?
The IUPAC name of ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide (CID 47062228) is ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide is CC.CC1CCN(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)CC1.
What is the InChIKey of ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide?
The InChIKey is DAXQGJPVRKLFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S.C2H6/c1-15-6-11-21(12-7-15)24(22,23)19-14-16-5-8-18-17(13-16)20-9-3-2-4-10-20;1-2/h5,8,13,15,19H,2-4,6-7,9-12,14H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide?
ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide has a molecular weight of 382.57 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 47062228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).