2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol

C13H21N3O3S — CID 79544387

IUPAC2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCc1ncc(S(=O)(=O)N2CCCC2C2CCCC2O)[nH]1
InChIInChI=1S/C13H21N3O3S/c1-9-14-8-13(15-9)20(18,19)16-7-3-5-11(16)10-4-2-6-12(10)17/h8,10-12,17H,2-7H2,1H3,(H,14,15)
InChIKeySAOVWJLXICQIIH-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.03
Rot. Bonds3

About 2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 79544387) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID79544387
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCc1ncc(S(=O)(=O)N2CCCC2C2CCCC2O)[nH]1
InChIInChI=1S/C13H21N3O3S/c1-9-14-8-13(15-9)20(18,19)16-7-3-5-11(16)10-4-2-6-12(10)17/h8,10-12,17H,2-7H2,1H3,(H,14,15)
InChIKeySAOVWJLXICQIIH-UHFFFAOYSA-N
XLogP1.03
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol (CID 79544387) is 2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol is Cc1ncc(S(=O)(=O)N2CCCC2C2CCCC2O)[nH]1.
What is the InChIKey of 2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is SAOVWJLXICQIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9-14-8-13(15-9)20(18,19)16-7-3-5-11(16)10-4-2-6-12(10)17/h8,10-12,17H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 299.40 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 79544387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).