1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane

C15H23N3O2S — CID 5268164

IUPAC1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane
SMILESO=S(=O)(c1ccc(N2CCCCCC2)nc1)N1CCCC1
InChIInChI=1S/C15H23N3O2S/c19-21(20,18-11-5-6-12-18)14-7-8-15(16-13-14)17-9-3-1-2-4-10-17/h7-8,13H,1-6,9-12H2
InChIKeyOVNLAVHHDNMJRR-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.25
Rot. Bonds3

About 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane

1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane (PubChem CID 5268164) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane.

Molecular Properties

Compound Name1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane
PubChem CID5268164
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane
SMILESO=S(=O)(c1ccc(N2CCCCCC2)nc1)N1CCCC1
InChIInChI=1S/C15H23N3O2S/c19-21(20,18-11-5-6-12-18)14-7-8-15(16-13-14)17-9-3-1-2-4-10-17/h7-8,13H,1-6,9-12H2
InChIKeyOVNLAVHHDNMJRR-UHFFFAOYSA-N
XLogP2.25
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane 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-Aminopyridine-3-sulfonamide
CID 459534
2-Pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine
CID 5268161
3-Methyl-4H-pyrido(2,3-e)-1,2,4-thiadiazine 1,1-
CID 116790
1-[3-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propyl]-4-pyridin-2-ylpiperazine
CID 168271260
N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 4786643
1-Ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 4877436
N-ethyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 5267927
1-[(2,5-Difluorophenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 6466285
Benzyl(phenylsulfonyl)-2-pyridylamine
CID 668956
Benzenesulfonamide, n-2-pyridinyl-
CID 261514
2H-Pyrido(2,3-e)-1,2,4-thiadiazine, 1,1-dioxide
CID 3054012
6-amino-N,N-dimethylpyridine-3-sulfonamide
CID 5267643

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane?
The IUPAC name of 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane (CID 5268164) is 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane.
What is the SMILES notation for 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane?
The canonical SMILES for 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane is O=S(=O)(c1ccc(N2CCCCCC2)nc1)N1CCCC1.
What is the InChIKey of 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane?
The InChIKey is OVNLAVHHDNMJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-21(20,18-11-5-6-12-18)14-7-8-15(16-13-14)17-9-3-1-2-4-10-17/h7-8,13H,1-6,9-12H2.
What are the key properties of 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane?
1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane has a molecular weight of 309.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)azepane is sourced from PubChem (CID 5268164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).