N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide

C13H23N3O2S2 — CID 71982183

IUPACN-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCSC1CCC(N(C)S(=O)(=O)c2cnc(C(C)C)[nH]2)C1
InChIInChI=1S/C13H23N3O2S2/c1-9(2)13-14-8-12(15-13)20(17,18)16(3)10-5-6-11(7-10)19-4/h8-11H,5-7H2,1-4H3,(H,14,15)
InChIKeyFYUCQZOCJYDUJY-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.44
Rot. Bonds5

About N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide

N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide (PubChem CID 71982183) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide
PubChem CID71982183
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCSC1CCC(N(C)S(=O)(=O)c2cnc(C(C)C)[nH]2)C1
InChIInChI=1S/C13H23N3O2S2/c1-9(2)13-14-8-12(15-13)20(17,18)16(3)10-5-6-11(7-10)19-4/h8-11H,5-7H2,1-4H3,(H,14,15)
InChIKeyFYUCQZOCJYDUJY-UHFFFAOYSA-N
XLogP2.44
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide (CID 71982183) is N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide is CSC1CCC(N(C)S(=O)(=O)c2cnc(C(C)C)[nH]2)C1.
What is the InChIKey of N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The InChIKey is FYUCQZOCJYDUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-9(2)13-14-8-12(15-13)20(17,18)16(3)10-5-6-11(7-10)19-4/h8-11H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide?
N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 71982183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).