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

C16H24N2O4S2 — CID 55484464

IUPACN-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide
SMILESCOc1ccc(SCCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H24N2O4S2/c1-22-14-3-5-15(6-4-14)23-12-9-16(19)18-10-7-13(8-11-18)17-24(2,20)21/h3-6,13,17H,7-12H2,1-2H3
InChIKeyQUHVPDMEWXENAW-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.72
Rot. Bonds7

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

N-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide (PubChem CID 55484464) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide
PubChem CID55484464
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC NameN-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide
SMILESCOc1ccc(SCCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H24N2O4S2/c1-22-14-3-5-15(6-4-14)23-12-9-16(19)18-10-7-13(8-11-18)17-24(2,20)21/h3-6,13,17H,7-12H2,1-2H3
InChIKeyQUHVPDMEWXENAW-UHFFFAOYSA-N
XLogP1.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119487625
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one;hydrochloride
CID 119483336
4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53498362
methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate
CID 110819832
6-[3-(4-methoxyphenyl)sulfanylpropanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174750
N-[1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34346590
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one
CID 31912861
(3S,4S)-1-[3-(4-methoxyphenyl)sulfanylpropanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953045
(2R)-1-[3-(4-methoxyphenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 119371042
methyl 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxylate
CID 19061809

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide (CID 55484464) is N-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide is COc1ccc(SCCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is QUHVPDMEWXENAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-22-14-3-5-15(6-4-14)23-12-9-16(19)18-10-7-13(8-11-18)17-24(2,20)21/h3-6,13,17H,7-12H2,1-2H3.
What are the key properties of N-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide?
N-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 372.51 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 55484464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).