(3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide

C11H18N2O2S2 — CID 35431210

IUPAC(3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCc2cccs2)C1
InChIInChI=1S/C11H18N2O2S2/c1-10-4-2-6-13(9-10)17(14,15)12-8-11-5-3-7-16-11/h3,5,7,10,12H,2,4,6,8-9H2,1H3/t10-/m0/s1
InChIKeyHVRIMLLJBOGMSN-JTQLQIEISA-N
MW274.41 g/mol
LogP1.81
Rot. Bonds4

About (3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide

(3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide (PubChem CID 35431210) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is (3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide
PubChem CID35431210
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name(3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCc2cccs2)C1
InChIInChI=1S/C11H18N2O2S2/c1-10-4-2-6-13(9-10)17(14,15)12-8-11-5-3-7-16-11/h3,5,7,10,12H,2,4,6,8-9H2,1H3/t10-/m0/s1
InChIKeyHVRIMLLJBOGMSN-JTQLQIEISA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of (3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide (CID 35431210) is (3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide is C[C@H]1CCCN(S(=O)(=O)NCc2cccs2)C1.
What is the InChIKey of (3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is HVRIMLLJBOGMSN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-10-4-2-6-13(9-10)17(14,15)12-8-11-5-3-7-16-11/h3,5,7,10,12H,2,4,6,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide?
(3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 274.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 35431210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).