2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide

C19H27N3O6S3 — CID 51960582

IUPAC2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H27N3O6S3/c1-20(2)18(23)13-29-17-6-4-3-5-16(17)19(24)21-8-10-22(11-9-21)31(27,28)15-7-12-30(25,26)14-15/h3-6,15H,7-14H2,1-2H3/t15-/m0/s1
InChIKeyHLQTVXAKVCZKSR-HNNXBMFYSA-N
MW489.64 g/mol
LogP0.14
Rot. Bonds6

About 2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide

2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide (PubChem CID 51960582) has the molecular formula C19H27N3O6S3 and a molecular weight of 489.64 g/mol. Its IUPAC name is 2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide
PubChem CID51960582
Molecular FormulaC19H27N3O6S3
Molecular Weight489.64 g/mol
Exact Mass489.11
IUPAC Name2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H27N3O6S3/c1-20(2)18(23)13-29-17-6-4-3-5-16(17)19(24)21-8-10-22(11-9-21)31(27,28)15-7-12-30(25,26)14-15/h3-6,15H,7-14H2,1-2H3/t15-/m0/s1
InChIKeyHLQTVXAKVCZKSR-HNNXBMFYSA-N
XLogP0.14
TPSA112.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1,1-dioxothiolan-3-yl)sulfonylpiperazin-1-yl]-[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanone
CID 55814155
(2-chlorophenyl)-[4-(1,1-dioxothiolan-3-yl)sulfonylpiperazin-1-yl]methanone
CID 55813839
(2-chloro-5-methylsulfanylphenyl)-[4-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpiperazin-1-yl]methanone
CID 51960585
(4-benzylsulfonylpiperazin-1-yl)-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylphenyl]methanone
CID 41079004
N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
CID 51315470
2-(4-chlorophenyl)sulfanyl-1-[4-(1,1-dioxothiolan-3-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 55815683
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylphenyl]methanone
CID 41075096
cyclopropyl-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoyl]piperazin-1-yl]methanone
CID 26005518
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylphenyl]methanone
CID 124834697
5-[4-(1,1-dioxothiolan-3-yl)sulfonylpiperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 55815601
2-[(1,1-dioxothiolan-3-yl)sulfonyl-methylamino]benzoic acid
CID 43172795
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 41030467

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide (CID 51960582) is 2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSc1ccccc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide?
The InChIKey is HLQTVXAKVCZKSR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O6S3/c1-20(2)18(23)13-29-17-6-4-3-5-16(17)19(24)21-8-10-22(11-9-21)31(27,28)15-7-12-30(25,26)14-15/h3-6,15H,7-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide?
2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide has a molecular weight of 489.64 g/mol, XLogP of 0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 51960582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).