N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide

C13H20N2O4S2 — CID 163354197

IUPACN-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C13H20N2O4S2/c1-20(16,17)13-7-5-12(6-8-13)15-9-3-4-11(10-15)14-21(2,18)19/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeySQWVZNRDCKYKHT-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.61
Rot. Bonds4

About N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide

N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide (PubChem CID 163354197) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide
PubChem CID163354197
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C13H20N2O4S2/c1-20(16,17)13-7-5-12(6-8-13)15-9-3-4-11(10-15)14-21(2,18)19/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeySQWVZNRDCKYKHT-UHFFFAOYSA-N
XLogP0.61
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(4-methylsulfonylphenyl)piperidin-3-amine
CID 62546364
N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine
CID 63854393
N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 56791986
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide
CID 55663474
(1S,5R)-N-[1-(4-methylphenyl)piperidin-3-yl]-3-azabicyclo[3.2.0]heptane-3-sulfonamide
CID 166271940
1-(4-methylsulfonylphenyl)-4-pyrrolidin-1-ylazepane
CID 136529901
N-[(3S)-1-(3-methyl-2-nitrophenyl)piperidin-3-yl]methanesulfonamide
CID 100640943
N-(1-pyrazin-2-ylpiperidin-3-yl)methanesulfonamide
CID 163354597
N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide
CID 95629495
N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]methanesulfonamide
CID 133296952
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide
CID 163352763

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide (CID 163354197) is N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is SQWVZNRDCKYKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-20(16,17)13-7-5-12(6-8-13)15-9-3-4-11(10-15)14-21(2,18)19/h5-8,11,14H,3-4,9-10H2,1-2H3.
What are the key properties of N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide?
N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 163354197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).