N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide

C12H19N3O3S2 — CID 119577922

IUPACN,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide
SMILESCC1CN(C(=O)c2sccc2S(=O)(=O)N(C)C)CCN1
InChIInChI=1S/C12H19N3O3S2/c1-9-8-15(6-5-13-9)12(16)11-10(4-7-19-11)20(17,18)14(2)3/h4,7,9,13H,5-6,8H2,1-3H3
InChIKeyFBEAJGJZGYGPBR-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.43
Rot. Bonds3

About N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide

N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide (PubChem CID 119577922) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide
PubChem CID119577922
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC NameN,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide
SMILESCC1CN(C(=O)c2sccc2S(=O)(=O)N(C)C)CCN1
InChIInChI=1S/C12H19N3O3S2/c1-9-8-15(6-5-13-9)12(16)11-10(4-7-19-11)20(17,18)14(2)3/h4,7,9,13H,5-6,8H2,1-3H3
InChIKeyFBEAJGJZGYGPBR-UHFFFAOYSA-N
XLogP0.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81427148
[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580886
[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580885
2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide
CID 120807309
methyl 3-[(3R)-3-methylpiperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 104975164
2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide
CID 119623007
(3-methoxythiophen-2-yl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245290
(3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride
CID 119580143
(4-tert-butyl-1,3-thiazol-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119577957
N,N-dimethyl-2-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophene-3-sulfonamide
CID 138999797
N-methyl-3-(3-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119578603
(2-ethylsulfonylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124591302

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide?
The IUPAC name of N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide (CID 119577922) is N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide is CC1CN(C(=O)c2sccc2S(=O)(=O)N(C)C)CCN1.
What is the InChIKey of N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide?
The InChIKey is FBEAJGJZGYGPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-9-8-15(6-5-13-9)12(16)11-10(4-7-19-11)20(17,18)14(2)3/h4,7,9,13H,5-6,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide?
N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide has a molecular weight of 317.44 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide is sourced from PubChem (CID 119577922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).