[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone

C16H24N2O3S2 — CID 50777756

IUPAC[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1csc(S(=O)(=O)N2CCCCCC2)c1)N1CCCCC1
InChIInChI=1S/C16H24N2O3S2/c19-16(17-8-4-3-5-9-17)14-12-15(22-13-14)23(20,21)18-10-6-1-2-7-11-18/h12-13H,1-11H2
InChIKeyOFYIJWHNNPTCBJ-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.94
Rot. Bonds3

About [5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone

[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone (PubChem CID 50777756) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is [5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
PubChem CID50777756
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC Name[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1csc(S(=O)(=O)N2CCCCCC2)c1)N1CCCCC1
InChIInChI=1S/C16H24N2O3S2/c19-16(17-8-4-3-5-9-17)14-12-15(22-13-14)23(20,21)18-10-6-1-2-7-11-18/h12-13H,1-11H2
InChIKeyOFYIJWHNNPTCBJ-UHFFFAOYSA-N
XLogP2.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-4-yl-(5-piperidin-1-ylsulfonylthiophen-3-yl)methanone
CID 50777436
[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone
CID 50777781
piperidin-1-yl-[5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophen-3-yl]methanone
CID 50777455
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491
4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65372779
5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 119146278
(4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone
CID 53006795
N-(3-chloro-2-methylphenyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028338
N-[(4-methylphenyl)methyl]-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028335
pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 53011795
N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028314
N-(3-chloro-4-fluorophenyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028354

Frequently Asked Questions

What is the IUPAC name of [5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone (CID 50777756) is [5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone is O=C(c1csc(S(=O)(=O)N2CCCCCC2)c1)N1CCCCC1.
What is the InChIKey of [5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone?
The InChIKey is OFYIJWHNNPTCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c19-16(17-8-4-3-5-9-17)14-12-15(22-13-14)23(20,21)18-10-6-1-2-7-11-18/h12-13H,1-11H2.
What are the key properties of [5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone?
[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone has a molecular weight of 356.51 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50777756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).