2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide

C15H21N3O4S — CID 126454556

IUPAC2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide
SMILESC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C[C@@H](C)N1
InChIInChI=1S/C15H21N3O4S/c1-10-7-18(8-11(2)17-10)15(20)12-3-5-13(6-4-12)23(21,22)9-14(16)19/h3-6,10-11,17H,7-9H2,1-2H3,(H2,16,19)/t10-,11-/m1/s1
InChIKeyIXYWIIHYQKQVHR-GHMZBOCLSA-N
MW339.42 g/mol
LogP-0.23
Rot. Bonds4

About 2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide

2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide (PubChem CID 126454556) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound Name2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide
PubChem CID126454556
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide
SMILESC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C[C@@H](C)N1
InChIInChI=1S/C15H21N3O4S/c1-10-7-18(8-11(2)17-10)15(20)12-3-5-13(6-4-12)23(21,22)9-14(16)19/h3-6,10-11,17H,7-9H2,1-2H3,(H2,16,19)/t10-,11-/m1/s1
InChIKeyIXYWIIHYQKQVHR-GHMZBOCLSA-N
XLogP-0.23
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 63862421
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124590225
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide
CID 82165153
4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119980481
(6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 141132994
3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride
CID 119564571
[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119576498
2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide
CID 124589501
1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 119564568
(5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 124589328
4-(3,4-dimethylpyrrolidine-1-carbonyl)benzenecarbothioamide
CID 79038709

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide?
The IUPAC name of 2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide (CID 126454556) is 2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide.
What is the SMILES notation for 2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide?
The canonical SMILES for 2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide is C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C[C@@H](C)N1.
What is the InChIKey of 2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide?
The InChIKey is IXYWIIHYQKQVHR-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-10-7-18(8-11(2)17-10)15(20)12-3-5-13(6-4-12)23(21,22)9-14(16)19/h3-6,10-11,17H,7-9H2,1-2H3,(H2,16,19)/t10-,11-/m1/s1.
What are the key properties of 2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide?
2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide has a molecular weight of 339.42 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 126454556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).