1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide

C14H19N3O2S2 — CID 71806161

IUPAC1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2(c3cccs3)CCCC2)c1
InChIInChI=1S/C14H19N3O2S2/c1-17-9-13(15-11-17)21(18,19)16-10-14(6-2-3-7-14)12-5-4-8-20-12/h4-5,8-9,11,16H,2-3,6-7,10H2,1H3
InChIKeyBHXDOTGMOCEWND-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.27
Rot. Bonds5

About 1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide

1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide (PubChem CID 71806161) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide
PubChem CID71806161
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2(c3cccs3)CCCC2)c1
InChIInChI=1S/C14H19N3O2S2/c1-17-9-13(15-11-17)21(18,19)16-10-14(6-2-3-7-14)12-5-4-8-20-12/h4-5,8-9,11,16H,2-3,6-7,10H2,1H3
InChIKeyBHXDOTGMOCEWND-UHFFFAOYSA-N
XLogP2.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide (CID 71806161) is 1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC2(c3cccs3)CCCC2)c1.
What is the InChIKey of 1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide?
The InChIKey is BHXDOTGMOCEWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-17-9-13(15-11-17)21(18,19)16-10-14(6-2-3-7-14)12-5-4-8-20-12/h4-5,8-9,11,16H,2-3,6-7,10H2,1H3.
What are the key properties of 1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide?
1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-thiophen-2-ylcyclopentyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 71806161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).