N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide

C16H24ClN3O3S — CID 91920913

IUPACN-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C[C@H]1N(C)C
InChIInChI=1S/C16H24ClN3O3S/c1-12(21)18-10-13-8-9-20(11-15(13)19(2)3)24(22,23)16-7-5-4-6-14(16)17/h4-7,13,15H,8-11H2,1-3H3,(H,18,21)/t13-,15-/m1/s1
InChIKeyUOZYXBGLZMMRER-UKRRQHHQSA-N
MW373.91 g/mol
LogP1.42
Rot. Bonds5

About N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide

N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide (PubChem CID 91920913) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide
PubChem CID91920913
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC NameN-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C[C@H]1N(C)C
InChIInChI=1S/C16H24ClN3O3S/c1-12(21)18-10-13-8-9-20(11-15(13)19(2)3)24(22,23)16-7-5-4-6-14(16)17/h4-7,13,15H,8-11H2,1-3H3,(H,18,21)/t13-,15-/m1/s1
InChIKeyUOZYXBGLZMMRER-UKRRQHHQSA-N
XLogP1.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 47319368
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465
N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]ethyl]cyclooctanecarboxamide
CID 173136747
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 113002892
N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]ethyl]cyclooctanecarboxamide;methane
CID 173136746
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 8754411
(2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide
CID 124886647
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide
CID 58702073

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide (CID 91920913) is N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide is CC(=O)NC[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C[C@H]1N(C)C.
What is the InChIKey of N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide?
The InChIKey is UOZYXBGLZMMRER-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H24ClN3O3S/c1-12(21)18-10-13-8-9-20(11-15(13)19(2)3)24(22,23)16-7-5-4-6-14(16)17/h4-7,13,15H,8-11H2,1-3H3,(H,18,21)/t13-,15-/m1/s1.
What are the key properties of N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide?
N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide has a molecular weight of 373.91 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 91920913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).