N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide

C17H29N5O2S — CID 29087481

IUPACN-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
SMILESCN1CCCN(c2ncccc2CNS(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H29N5O2S/c1-20-9-6-10-21(14-13-20)17-16(7-5-8-18-17)15-19-25(23,24)22-11-3-2-4-12-22/h5,7-8,19H,2-4,6,9-15H2,1H3
InChIKeyGGXBILCMDFQKBL-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.04
Rot. Bonds5

About N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide

N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide (PubChem CID 29087481) has the molecular formula C17H29N5O2S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
PubChem CID29087481
Molecular FormulaC17H29N5O2S
Molecular Weight367.52 g/mol
Exact Mass367.20
IUPAC NameN-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
SMILESCN1CCCN(c2ncccc2CNS(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H29N5O2S/c1-20-9-6-10-21(14-13-20)17-16(7-5-8-18-17)15-19-25(23,24)22-11-3-2-4-12-22/h5,7-8,19H,2-4,6,9-15H2,1H3
InChIKeyGGXBILCMDFQKBL-UHFFFAOYSA-N
XLogP1.04
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-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

2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791
N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide
CID 25312969
N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine
CID 26394420
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 26402282
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 28744763
N-benzylpiperidine-1-sulfonamide
CID 2989594
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35388805
1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970569
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine
CID 45251381
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 122353302

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide?
The IUPAC name of N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide (CID 29087481) is N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide is CN1CCCN(c2ncccc2CNS(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide?
The InChIKey is GGXBILCMDFQKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2S/c1-20-9-6-10-21(14-13-20)17-16(7-5-8-18-17)15-19-25(23,24)22-11-3-2-4-12-22/h5,7-8,19H,2-4,6,9-15H2,1H3.
What are the key properties of N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide?
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 29087481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).