(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide

C13H21N3O2S — CID 124669879

IUPAC(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)N(C)C)C[C@H]1c1ccccc1
InChIInChI=1S/C13H21N3O2S/c1-14(2)19(17,18)16-10-9-15(3)13(11-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyNETBFVDUJWWESV-ZDUSSCGKSA-N
MW283.40 g/mol
LogP0.78
Rot. Bonds3

About (3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide

(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide (PubChem CID 124669879) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
PubChem CID124669879
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)N(C)C)C[C@H]1c1ccccc1
InChIInChI=1S/C13H21N3O2S/c1-14(2)19(17,18)16-10-9-15(3)13(11-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyNETBFVDUJWWESV-ZDUSSCGKSA-N
XLogP0.78
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine
CID 110617293
1-methyl-2-phenyl-4-propylsulfonylpiperazine
CID 110418547
4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132
(2R)-4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 129418750
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine
CID 53189148
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
CID 94915318
N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide
CID 110707722
1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 110097833
4-methyl-3-phenylpiperazine-1-carbaldehyde
CID 175202957

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide?
The IUPAC name of (3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide (CID 124669879) is (3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide.
What is the SMILES notation for (3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide?
The canonical SMILES for (3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide is CN1CCN(S(=O)(=O)N(C)C)C[C@H]1c1ccccc1.
What is the InChIKey of (3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide?
The InChIKey is NETBFVDUJWWESV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-14(2)19(17,18)16-10-9-15(3)13(11-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide?
(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide is sourced from PubChem (CID 124669879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).