N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide

C16H24N2O4S — CID 95282014

IUPACN-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide
SMILESCOc1cccc(S(=O)(=O)CCN2CCC[C@H](NC(C)=O)C2)c1
InChIInChI=1S/C16H24N2O4S/c1-13(19)17-14-5-4-8-18(12-14)9-10-23(20,21)16-7-3-6-15(11-16)22-2/h3,6-7,11,14H,4-5,8-10,12H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyGVKZVTSIZDOBBC-AWEZNQCLSA-N
MW340.44 g/mol
LogP1.07
Rot. Bonds6

About N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide

N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide (PubChem CID 95282014) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide
PubChem CID95282014
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide
SMILESCOc1cccc(S(=O)(=O)CCN2CCC[C@H](NC(C)=O)C2)c1
InChIInChI=1S/C16H24N2O4S/c1-13(19)17-14-5-4-8-18(12-14)9-10-23(20,21)16-7-3-6-15(11-16)22-2/h3,6-7,11,14H,4-5,8-10,12H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyGVKZVTSIZDOBBC-AWEZNQCLSA-N
XLogP1.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine
CID 98035714
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide
CID 97159907
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
1-methoxy-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylsulfonyl]benzene
CID 51963657
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134802563
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide
CID 86842614
3-(3-methoxyphenyl)sulfonylpropanoic acid
CID 16786519
3-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide
CID 134801337

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide (CID 95282014) is N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide is COc1cccc(S(=O)(=O)CCN2CCC[C@H](NC(C)=O)C2)c1.
What is the InChIKey of N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide?
The InChIKey is GVKZVTSIZDOBBC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-13(19)17-14-5-4-8-18(12-14)9-10-23(20,21)16-7-3-6-15(11-16)22-2/h3,6-7,11,14H,4-5,8-10,12H2,1-2H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide has a molecular weight of 340.44 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 95282014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).