[2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol

C11H19N3O3S2 — CID 103378959

IUPAC[2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESCS(=O)(=O)c1c(N)nsc1NCC1CCCC1CO
InChIInChI=1S/C11H19N3O3S2/c1-19(16,17)9-10(12)14-18-11(9)13-5-7-3-2-4-8(7)6-15/h7-8,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyIQJWLMUKVQCWCO-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.95
Rot. Bonds5

About [2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol

[2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 103378959) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is [2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
PubChem CID103378959
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name[2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESCS(=O)(=O)c1c(N)nsc1NCC1CCCC1CO
InChIInChI=1S/C11H19N3O3S2/c1-19(16,17)9-10(12)14-18-11(9)13-5-7-3-2-4-8(7)6-15/h7-8,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyIQJWLMUKVQCWCO-UHFFFAOYSA-N
XLogP0.95
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol (CID 103378959) is [2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol is CS(=O)(=O)c1c(N)nsc1NCC1CCCC1CO.
What is the InChIKey of [2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is IQJWLMUKVQCWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-19(16,17)9-10(12)14-18-11(9)13-5-7-3-2-4-8(7)6-15/h7-8,13,15H,2-6H2,1H3,(H2,12,14).
What are the key properties of [2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol?
[2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 305.43 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 103378959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).