(2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide

C12H19N3O2S — CID 94994297

IUPAC(2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C12H19N3O2S/c1-14(2)18(16,17)15-9-8-13-10-12(15)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyUOPQLLMPEDGYRV-LBPRGKRZSA-N
MW269.37 g/mol
LogP0.44
Rot. Bonds3

About (2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide

(2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide (PubChem CID 94994297) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide
PubChem CID94994297
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C12H19N3O2S/c1-14(2)18(16,17)15-9-8-13-10-12(15)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyUOPQLLMPEDGYRV-LBPRGKRZSA-N
XLogP0.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-2-phenyl-1,4-diazepane
CID 82245286
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 120776944
N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
CID 120764052
(2S)-4-acetyl-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide
CID 124988810
2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride
CID 120765000
1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
CID 120776858
N,N-diethyl-2-(2-methoxyphenyl)piperazine-1-sulfonamide;hydrochloride
CID 120763279
1-cyclobutyl-2-phenylpiperazine
CID 64931514
methyl 6-[[(2-phenylpiperazin-1-yl)sulfonylamino]methyl]pyridine-3-carboxylate
CID 126507736
3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide
CID 110663884
1-(1-methylpiperidin-4-yl)-2-phenylpiperazine
CID 64936522

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide?
The IUPAC name of (2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide (CID 94994297) is (2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCNC[C@H]1c1ccccc1.
What is the InChIKey of (2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide?
The InChIKey is UOPQLLMPEDGYRV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-14(2)18(16,17)15-9-8-13-10-12(15)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide?
(2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide is sourced from PubChem (CID 94994297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).