N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide

C13H17N3O3S2 — CID 97355063

IUPACN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC[C@@](O)(c2cccs2)C2CC2)c1
InChIInChI=1S/C13H17N3O3S2/c1-16-7-12(14-9-16)21(18,19)15-8-13(17,10-4-5-10)11-3-2-6-20-11/h2-3,6-7,9-10,15,17H,4-5,8H2,1H3/t13-/m0/s1
InChIKeyHQHRMAUOWQNUTQ-ZDUSSCGKSA-N
MW327.43 g/mol
LogP1.06
Rot. Bonds6

About N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide

N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 97355063) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide
PubChem CID97355063
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC[C@@](O)(c2cccs2)C2CC2)c1
InChIInChI=1S/C13H17N3O3S2/c1-16-7-12(14-9-16)21(18,19)15-8-13(17,10-4-5-10)11-3-2-6-20-11/h2-3,6-7,9-10,15,17H,4-5,8H2,1H3/t13-/m0/s1
InChIKeyHQHRMAUOWQNUTQ-ZDUSSCGKSA-N
XLogP1.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide (CID 97355063) is N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC[C@@](O)(c2cccs2)C2CC2)c1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is HQHRMAUOWQNUTQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-16-7-12(14-9-16)21(18,19)15-8-13(17,10-4-5-10)11-3-2-6-20-11/h2-3,6-7,9-10,15,17H,4-5,8H2,1H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide?
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 97355063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).