(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide

C12H20N2O2S2 — CID 35609636

IUPAC(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide
SMILESCc1ccsc1CNS(=O)(=O)N1CCC[C@@H](C)C1
InChIInChI=1S/C12H20N2O2S2/c1-10-4-3-6-14(9-10)18(15,16)13-8-12-11(2)5-7-17-12/h5,7,10,13H,3-4,6,8-9H2,1-2H3/t10-/m1/s1
InChIKeyTUCITKGASGALLP-SNVBAGLBSA-N
MW288.44 g/mol
LogP2.12
Rot. Bonds4

About (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide

(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide (PubChem CID 35609636) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide
PubChem CID35609636
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide
SMILESCc1ccsc1CNS(=O)(=O)N1CCC[C@@H](C)C1
InChIInChI=1S/C12H20N2O2S2/c1-10-4-3-6-14(9-10)18(15,16)13-8-12-11(2)5-7-17-12/h5,7,10,13H,3-4,6,8-9H2,1-2H3/t10-/m1/s1
InChIKeyTUCITKGASGALLP-SNVBAGLBSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81092682
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 47165000
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
N-[(3-bromothiophen-2-yl)methyl]azepane-1-sulfonamide
CID 78983748
(3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35323796
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 71997194
[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]methanone
CID 7471884
N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750899
(3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
CID 95761624
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide (CID 35609636) is (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide is Cc1ccsc1CNS(=O)(=O)N1CCC[C@@H](C)C1.
What is the InChIKey of (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is TUCITKGASGALLP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-10-4-3-6-14(9-10)18(15,16)13-8-12-11(2)5-7-17-12/h5,7,10,13H,3-4,6,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide?
(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 35609636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).