(2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide

C14H21N3O3S — CID 124988810

IUPAC(2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide
SMILESCC(=O)N1CCN(S(=O)(=O)N(C)C)[C@@H](c2ccccc2)C1
InChIInChI=1S/C14H21N3O3S/c1-12(18)16-9-10-17(21(19,20)15(2)3)14(11-16)13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3/t14-/m1/s1
InChIKeyOPOXDFUDXYBXPS-CQSZACIVSA-N
MW311.41 g/mol
LogP0.70
Rot. Bonds3

About (2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide

(2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide (PubChem CID 124988810) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide
PubChem CID124988810
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide
SMILESCC(=O)N1CCN(S(=O)(=O)N(C)C)[C@@H](c2ccccc2)C1
InChIInChI=1S/C14H21N3O3S/c1-12(18)16-9-10-17(21(19,20)15(2)3)14(11-16)13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3/t14-/m1/s1
InChIKeyOPOXDFUDXYBXPS-CQSZACIVSA-N
XLogP0.70
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide
CID 94994297
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 124940322
(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
CID 124669879
1-[(3S)-4-(oxane-4-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124947252
1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
CID 125013501
1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124956509
1-[(3R)-3-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 125008142
1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125008540
1-[4-(1-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 110097808
1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 124951880
1-[(3S)-4-(2-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124986438

Frequently Asked Questions

What is the IUPAC name of (2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide?
The IUPAC name of (2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide (CID 124988810) is (2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide.
What is the SMILES notation for (2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide?
The canonical SMILES for (2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide is CC(=O)N1CCN(S(=O)(=O)N(C)C)[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide?
The InChIKey is OPOXDFUDXYBXPS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-12(18)16-9-10-17(21(19,20)15(2)3)14(11-16)13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide?
(2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide is sourced from PubChem (CID 124988810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).