N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride

C14H20ClN5O3S2 — CID 120878225

IUPACN-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCNCC2c2nccn2C)c1.Cl
InChIInChI=1S/C14H19N5O3S2.ClH/c1-15-24(21,22)10-7-12(23-9-10)14(20)19-6-3-16-8-11(19)13-17-4-5-18(13)2;/h4-5,7,9,11,15-16H,3,6,8H2,1-2H3;1H
InChIKeyMPZDIWQAWVHQAK-UHFFFAOYSA-N
MW405.93 g/mol
LogP0.60
Rot. Bonds4

About N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride

N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride (PubChem CID 120878225) has the molecular formula C14H20ClN5O3S2 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride
PubChem CID120878225
Molecular FormulaC14H20ClN5O3S2
Molecular Weight405.93 g/mol
Exact Mass405.07
IUPAC NameN-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCNCC2c2nccn2C)c1.Cl
InChIInChI=1S/C14H19N5O3S2.ClH/c1-15-24(21,22)10-7-12(23-9-10)14(20)19-6-3-16-8-11(19)13-17-4-5-18(13)2;/h4-5,7,9,11,15-16H,3,6,8H2,1-2H3;1H
InChIKeyMPZDIWQAWVHQAK-UHFFFAOYSA-N
XLogP0.60
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 120739064
1-[5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophen-2-yl]ethanone;hydrochloride
CID 120880591
1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878121
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 120880628
(2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878803
imidazo[1,2-a]pyrazin-8-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878426
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877861
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120878160
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879462

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride?
The IUPAC name of N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride (CID 120878225) is N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride is CNS(=O)(=O)c1csc(C(=O)N2CCNCC2c2nccn2C)c1.Cl.
What is the InChIKey of N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride?
The InChIKey is MPZDIWQAWVHQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S2.ClH/c1-15-24(21,22)10-7-12(23-9-10)14(20)19-6-3-16-8-11(19)13-17-4-5-18(13)2;/h4-5,7,9,11,15-16H,3,6,8H2,1-2H3;1H.
What are the key properties of N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride?
N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120878225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).