1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide

C18H28N2O2S2 — CID 42193248

IUPAC1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(C2CCSCC2)C1
InChIInChI=1S/C18H28N2O2S2/c21-24(22,15-16-5-2-1-3-6-16)19-13-17-7-4-10-20(14-17)18-8-11-23-12-9-18/h1-3,5-6,17-19H,4,7-15H2/t17-/m1/s1
InChIKeyQUXSYXBBCWDOJJ-QGZVFWFLSA-N
MW368.57 g/mol
LogP2.71
Rot. Bonds6

About 1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide

1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 42193248) has the molecular formula C18H28N2O2S2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID42193248
Molecular FormulaC18H28N2O2S2
Molecular Weight368.57 g/mol
Exact Mass368.16
IUPAC Name1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(C2CCSCC2)C1
InChIInChI=1S/C18H28N2O2S2/c21-24(22,15-16-5-2-1-3-6-16)19-13-17-7-4-10-20(14-17)18-8-11-23-12-9-18/h1-3,5-6,17-19H,4,7-15H2/t17-/m1/s1
InChIKeyQUXSYXBBCWDOJJ-QGZVFWFLSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide
CID 97273714
1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide
CID 91814267
N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 97275202
N-[[1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 72876889
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 72910147
N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 26399178
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968538
N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 97268000
ethyl 2-[[(3S)-3-[(benzylsulfonylamino)methyl]piperidine-1-carbonyl]amino]acetate
CID 42567032
N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 45198431

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide (CID 42193248) is 1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(C2CCSCC2)C1.
What is the InChIKey of 1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is QUXSYXBBCWDOJJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O2S2/c21-24(22,15-16-5-2-1-3-6-16)19-13-17-7-4-10-20(14-17)18-8-11-23-12-9-18/h1-3,5-6,17-19H,4,7-15H2/t17-/m1/s1.
What are the key properties of 1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 368.57 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 42193248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).