N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide

C11H17N3O3S2 — CID 32503634

IUPACN,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C11H17N3O3S2/c1-12(2)19(16,17)14-6-4-13(5-7-14)11(15)10-3-8-18-9-10/h3,8-9H,4-7H2,1-2H3
InChIKeyMFAOAWXEQCYKFF-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.31
Rot. Bonds3

About N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide (PubChem CID 32503634) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide
PubChem CID32503634
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC NameN,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C11H17N3O3S2/c1-12(2)19(16,17)14-6-4-13(5-7-14)11(15)10-3-8-18-9-10/h3,8-9H,4-7H2,1-2H3
InChIKeyMFAOAWXEQCYKFF-UHFFFAOYSA-N
XLogP0.31
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 108570154
4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 78948394
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 17485336
4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 108568463
N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide
CID 32501840
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 103514904
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298879
(2R)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298897
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 138024622
2-[4-(thiophene-3-carbonyl)piperazin-1-yl]propanethioamide
CID 55201014

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide (CID 32503634) is N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide?
The InChIKey is MFAOAWXEQCYKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-12(2)19(16,17)14-6-4-13(5-7-14)11(15)10-3-8-18-9-10/h3,8-9H,4-7H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide has a molecular weight of 303.41 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 32503634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).