N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide

C16H27N3O2S2 — CID 131895476

IUPACN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide
SMILESO=S(=O)(NC1CCCN(Cc2cccs2)C1)N1CCCCCC1
InChIInChI=1S/C16H27N3O2S2/c20-23(21,19-10-3-1-2-4-11-19)17-15-7-5-9-18(13-15)14-16-8-6-12-22-16/h6,8,12,15,17H,1-5,7,9-11,13-14H2
InChIKeySKLDFBOFHOHVJS-UHFFFAOYSA-N
MW357.55 g/mol
LogP2.42
Rot. Bonds5

About N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide

N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide (PubChem CID 131895476) has the molecular formula C16H27N3O2S2 and a molecular weight of 357.55 g/mol. Its IUPAC name is N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide
PubChem CID131895476
Molecular FormulaC16H27N3O2S2
Molecular Weight357.55 g/mol
Exact Mass357.15
IUPAC NameN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide
SMILESO=S(=O)(NC1CCCN(Cc2cccs2)C1)N1CCCCCC1
InChIInChI=1S/C16H27N3O2S2/c20-23(21,19-10-3-1-2-4-11-19)17-15-7-5-9-18(13-15)14-16-8-6-12-22-16/h6,8,12,15,17H,1-5,7,9-11,13-14H2
InChIKeySKLDFBOFHOHVJS-UHFFFAOYSA-N
XLogP2.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-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

N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine-3-sulfonamide
CID 131922128
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide
CID 131904796
4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide
CID 131920401
4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide
CID 131935000
2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]benzoic acid
CID 131904569
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 43327642
4-(azepan-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 66903863
5-oxo-5-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pentanamide
CID 131905750
4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
CID 131929491
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide
CID 94639342
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199

Frequently Asked Questions

What is the IUPAC name of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide?
The IUPAC name of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide (CID 131895476) is N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide.
What is the SMILES notation for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide?
The canonical SMILES for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide is O=S(=O)(NC1CCCN(Cc2cccs2)C1)N1CCCCCC1.
What is the InChIKey of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide?
The InChIKey is SKLDFBOFHOHVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S2/c20-23(21,19-10-3-1-2-4-11-19)17-15-7-5-9-18(13-15)14-16-8-6-12-22-16/h6,8,12,15,17H,1-5,7,9-11,13-14H2.
What are the key properties of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide?
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide has a molecular weight of 357.55 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide is sourced from PubChem (CID 131895476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).