5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine

C15H24N2O2S2 — CID 84586993

IUPAC5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine
SMILESCS(=O)(=O)N1CCCC(CN2CCCc3sccc3C2)C1
InChIInChI=1S/C15H24N2O2S2/c1-21(18,19)17-8-2-4-13(11-17)10-16-7-3-5-15-14(12-16)6-9-20-15/h6,9,13H,2-5,7-8,10-12H2,1H3
InChIKeyJKRLNOYGHOCPOE-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.17
Rot. Bonds3

About 5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine

5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine (PubChem CID 84586993) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine.

Molecular Properties

Compound Name5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine
PubChem CID84586993
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine
SMILESCS(=O)(=O)N1CCCC(CN2CCCc3sccc3C2)C1
InChIInChI=1S/C15H24N2O2S2/c1-21(18,19)17-8-2-4-13(11-17)10-16-7-3-5-15-14(12-16)6-9-20-15/h6,9,13H,2-5,7-8,10-12H2,1H3
InChIKeyJKRLNOYGHOCPOE-UHFFFAOYSA-N
XLogP2.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine 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-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,3-dihydroisoindol-4-amine
CID 79610232
(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidine-3-carboxylic acid
CID 79612897
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 79611507
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
CID 79622641
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole
CID 131962697
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine
CID 79612398
5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929943
N-[4-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-ylmethyl)phenyl]methanesulfonamide
CID 56787387

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine?
The IUPAC name of 5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine (CID 84586993) is 5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine.
What is the SMILES notation for 5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine?
The canonical SMILES for 5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine is CS(=O)(=O)N1CCCC(CN2CCCc3sccc3C2)C1.
What is the InChIKey of 5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine?
The InChIKey is JKRLNOYGHOCPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-21(18,19)17-8-2-4-13(11-17)10-16-7-3-5-15-14(12-16)6-9-20-15/h6,9,13H,2-5,7-8,10-12H2,1H3.
What are the key properties of 5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine?
5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine has a molecular weight of 328.50 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine is sourced from PubChem (CID 84586993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).