1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide

C16H26N2O4S2 — CID 97273714

IUPAC1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O4S2/c1-2-11-24(21,22)18-10-6-9-16(13-18)12-17-23(19,20)14-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t16-/m0/s1
InChIKeyBNAXAVUQVQUMQE-INIZCTEOSA-N
MW374.53 g/mol
LogP1.56
Rot. Bonds8

About 1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide

1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide (PubChem CID 97273714) has the molecular formula C16H26N2O4S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide
PubChem CID97273714
Molecular FormulaC16H26N2O4S2
Molecular Weight374.53 g/mol
Exact Mass374.13
IUPAC Name1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O4S2/c1-2-11-24(21,22)18-10-6-9-16(13-18)12-17-23(19,20)14-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t16-/m0/s1
InChIKeyBNAXAVUQVQUMQE-INIZCTEOSA-N
XLogP1.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 42193248
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine
CID 42212255
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
ethyl 2-[[(3S)-3-[(benzylsulfonylamino)methyl]piperidine-1-carbonyl]amino]acetate
CID 42567032
3-[(2-methylphenoxy)methyl]-1-propylsulfonylpiperidine
CID 110638480
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-[[(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-[(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-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide (CID 97273714) is 1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide is CCCS(=O)(=O)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is BNAXAVUQVQUMQE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2O4S2/c1-2-11-24(21,22)18-10-6-9-16(13-18)12-17-23(19,20)14-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t16-/m0/s1.
What are the key properties of 1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide?
1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 374.53 g/mol, XLogP of 1.56, 8 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-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97273714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).