N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide

C16H24N2O3S — CID 3147850

IUPACN-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide
SMILESCC1CCN(C(=O)C(C)N(c2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H24N2O3S/c1-13-9-11-17(12-10-13)16(19)14(2)18(22(3,20)21)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3
InChIKeyNXSVEYVMEYIXMQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.10
Rot. Bonds4

About N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide

N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide (PubChem CID 3147850) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide
PubChem CID3147850
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide
SMILESCC1CCN(C(=O)C(C)N(c2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H24N2O3S/c1-13-9-11-17(12-10-13)16(19)14(2)18(22(3,20)21)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3
InChIKeyNXSVEYVMEYIXMQ-UHFFFAOYSA-N
XLogP2.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenampromide
CID 8523
N-[4-(4-Acetylpiperazin-1-Yl)benzyl]-N-(2-Methylpropyl)-1-Phenylmethanesulfonamide
CID 86346645
N-(2-Morpholin-4-yl-2-oxo-ethyl)-N-phenyl-methanesulfonamide
CID 785142
2,2-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide
CID 824048
N-(4-Isopropyl-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 846512
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
N-(3-fluorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893951
N-(3-Fluoro-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 894067
N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 989253
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-methanesulfonamide
CID 1076842
N-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-isopropyl-phenyl)-methanesulfonamide
CID 1135728
N-(2-Azepan-1-yl-2-oxo-ethyl)-N-o-tolyl-methanesulfonamide
CID 2898569

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide?
The IUPAC name of N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide (CID 3147850) is N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide?
The canonical SMILES for N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide is CC1CCN(C(=O)C(C)N(c2ccccc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide?
The InChIKey is NXSVEYVMEYIXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13-9-11-17(12-10-13)16(19)14(2)18(22(3,20)21)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide?
N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide is sourced from PubChem (CID 3147850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).