N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide

C15H23N3O3S — CID 125054281

IUPACN-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide
SMILESCN1CCN(C(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)CC1
InChIInChI=1S/C15H23N3O3S/c1-16-9-11-18(12-10-16)15(19)14(17(2)22(3,20)21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyRYWOHECQTXJFNX-AWEZNQCLSA-N
MW325.43 g/mol
LogP0.39
Rot. Bonds4

About N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide

N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide (PubChem CID 125054281) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide
PubChem CID125054281
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide
SMILESCN1CCN(C(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)CC1
InChIInChI=1S/C15H23N3O3S/c1-16-9-11-18(12-10-16)15(19)14(17(2)22(3,20)21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyRYWOHECQTXJFNX-AWEZNQCLSA-N
XLogP0.39
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 133161882
N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 133184784
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-phenylethyl]-N-methylmethanesulfonamide
CID 133210680
N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 133187649
N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-N-methylmethanesulfonamide
CID 125054870
N,N-dimethyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133219262
N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 125057224
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 3151806
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
N-methyl-2-[methyl(methylsulfonyl)amino]-N,2-diphenylacetamide
CID 133224661

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide (CID 125054281) is N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide is CN1CCN(C(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide?
The InChIKey is RYWOHECQTXJFNX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-16-9-11-18(12-10-16)15(19)14(17(2)22(3,20)21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide?
N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide is sourced from PubChem (CID 125054281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).