N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide

C11H21NO2S — CID 103782283

IUPACN-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide
SMILESCC(C)C(CCO)NC(=O)C1CCSC1
InChIInChI=1S/C11H21NO2S/c1-8(2)10(3-5-13)12-11(14)9-4-6-15-7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyHYGAUSYGZYGKJH-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.26
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide

N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide (PubChem CID 103782283) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide
PubChem CID103782283
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide
SMILESCC(C)C(CCO)NC(=O)C1CCSC1
InChIInChI=1S/C11H21NO2S/c1-8(2)10(3-5-13)12-11(14)9-4-6-15-7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyHYGAUSYGZYGKJH-UHFFFAOYSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide
CID 115283671
N-(1-bromo-3-methylbutan-2-yl)thiolane-3-carboxamide
CID 114316118
N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide
CID 102677253
N-(1-chloro-4,4-dimethylpentan-3-yl)thiolane-3-carboxamide
CID 106355862
N-(2-methylpropyl)thiolane-3-carboxamide
CID 64592330
N-(1-bromobutan-2-yl)thiolane-3-carboxamide
CID 114307638
1-(cyclopropanecarbonyl)-N-(1-hydroxy-4-methylpentan-3-yl)piperidine-3-carboxamide
CID 103750955
N-(2-oxopropyl)thiolane-3-carboxamide
CID 64997229
N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106352920
N-(1-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 103796571
N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide
CID 106355279
N-(4-hydroxybutan-2-yl)cyclopropanecarboxamide
CID 81042795

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide (CID 103782283) is N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide is CC(C)C(CCO)NC(=O)C1CCSC1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide?
The InChIKey is HYGAUSYGZYGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-8(2)10(3-5-13)12-11(14)9-4-6-15-7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide has a molecular weight of 231.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)thiolane-3-carboxamide is sourced from PubChem (CID 103782283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).