4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide

C11H17N3O3S2 — CID 120571641

IUPAC4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide
SMILESCC1NCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1C
InChIInChI=1S/C11H17N3O3S2/c1-7-8(2)14(4-3-13-7)11(15)9-5-10(18-6-9)19(12,16)17/h5-8,13H,3-4H2,1-2H3,(H2,12,16,17)
InChIKeyQLGAROWYDQOXGY-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.22
Rot. Bonds2

About 4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide

4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 120571641) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID120571641
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide
SMILESCC1NCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1C
InChIInChI=1S/C11H17N3O3S2/c1-7-8(2)14(4-3-13-7)11(15)9-5-10(18-6-9)19(12,16)17/h5-8,13H,3-4H2,1-2H3,(H2,12,16,17)
InChIKeyQLGAROWYDQOXGY-UHFFFAOYSA-N
XLogP0.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone
CID 120571458
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491
(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
CID 120570068
4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide
CID 119434833
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 120570067
(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764
[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 82302377
(2,3-dimethylpiperazin-1-yl)-(3-iodo-4-methylphenyl)methanone
CID 120570666
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248
4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide
CID 62223272

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide (CID 120571641) is 4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide is CC1NCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1C.
What is the InChIKey of 4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is QLGAROWYDQOXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-7-8(2)14(4-3-13-7)11(15)9-5-10(18-6-9)19(12,16)17/h5-8,13H,3-4H2,1-2H3,(H2,12,16,17).
What are the key properties of 4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide?
4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 303.41 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 120571641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).