[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone

C16H24N2O3S2 — CID 51607049

IUPAC[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
SMILESC[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1
InChIInChI=1S/C16H24N2O3S2/c1-13-5-2-8-17(11-13)16(19)14-6-3-9-18(12-14)23(20,21)15-7-4-10-22-15/h4,7,10,13-14H,2-3,5-6,8-9,11-12H2,1H3/t13-,14+/m0/s1
InChIKeyVAEWZCLJMDKHSX-UONOGXRCSA-N
MW356.51 g/mol
LogP2.41
Rot. Bonds3

About [(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone

[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone (PubChem CID 51607049) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is [(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
PubChem CID51607049
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC Name[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
SMILESC[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1
InChIInChI=1S/C16H24N2O3S2/c1-13-5-2-8-17(11-13)16(19)14-6-3-9-18(12-14)23(20,21)15-7-4-10-22-15/h4,7,10,13-14H,2-3,5-6,8-9,11-12H2,1H3/t13-,14+/m0/s1
InChIKeyVAEWZCLJMDKHSX-UONOGXRCSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone with MolForge

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Related Compounds

piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55428093
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
1-pyrrolidin-1-yl-2-[4-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 41074973
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 43886524
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 30124703
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 92802348
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55447148
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone?
The IUPAC name of [(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone (CID 51607049) is [(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for [(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone?
The canonical SMILES for [(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone is C[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1.
What is the InChIKey of [(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone?
The InChIKey is VAEWZCLJMDKHSX-UONOGXRCSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-13-5-2-8-17(11-13)16(19)14-6-3-9-18(12-14)23(20,21)15-7-4-10-22-15/h4,7,10,13-14H,2-3,5-6,8-9,11-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of [(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone?
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone has a molecular weight of 356.51 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 51607049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).