N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide

C11H21NO2S — CID 107300160

IUPACN-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide
SMILESCC(O)CCCNC(=O)C1(C)CCCS1
InChIInChI=1S/C11H21NO2S/c1-9(13)5-3-7-12-10(14)11(2)6-4-8-15-11/h9,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyRAUAKZLVYCOYPE-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.55
Rot. Bonds5

About N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide

N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide (PubChem CID 107300160) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide
PubChem CID107300160
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide
SMILESCC(O)CCCNC(=O)C1(C)CCCS1
InChIInChI=1S/C11H21NO2S/c1-9(13)5-3-7-12-10(14)11(2)6-4-8-15-11/h9,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyRAUAKZLVYCOYPE-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorobutyl)-2-methylthiolane-2-carboxamide
CID 114301927
N-(3-cyanopropyl)-2-methylthiolane-2-carboxamide
CID 81451532
N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide
CID 107318890
N-(2-aminoethyl)-2-methylthiolane-2-carboxamide
CID 81450452
N-(4-amino-4-sulfanylidenebutyl)-2-methylthiolane-2-carboxamide
CID 81450257
N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide
CID 81452022
N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide
CID 107299926
2-hydroxy-3-[(2-methylthiolane-2-carbonyl)amino]propanoic acid
CID 81451719
N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiolane-2-carboxamide
CID 103774505
N-(1-chloropropan-2-yl)-2-methylthiolane-2-carboxamide
CID 114299643
2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide
CID 81003927
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide
CID 114751515

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide?
The IUPAC name of N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide (CID 107300160) is N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide is CC(O)CCCNC(=O)C1(C)CCCS1.
What is the InChIKey of N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide?
The InChIKey is RAUAKZLVYCOYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9(13)5-3-7-12-10(14)11(2)6-4-8-15-11/h9,13H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide?
N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide has a molecular weight of 231.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 107300160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).