N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide

C12H21NO2S — CID 114751515

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NCC2(CCO)CC2)CCCS1
InChIInChI=1S/C12H21NO2S/c1-11(3-2-8-16-11)10(15)13-9-12(4-5-12)6-7-14/h14H,2-9H2,1H3,(H,13,15)
InChIKeyRGPNHKZTTLYSTD-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.55
Rot. Bonds5

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide (PubChem CID 114751515) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide
PubChem CID114751515
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NCC2(CCO)CC2)CCCS1
InChIInChI=1S/C12H21NO2S/c1-11(3-2-8-16-11)10(15)13-9-12(4-5-12)6-7-14/h14H,2-9H2,1H3,(H,13,15)
InChIKeyRGPNHKZTTLYSTD-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-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-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide
CID 107318890
N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide
CID 81452022
N-(2-aminoethyl)-2-methylthiolane-2-carboxamide
CID 81450452
1-amino-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119817790
N-(2-aminobutyl)-2-methylthiolane-2-carboxamide
CID 81450732
N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide
CID 115701886
N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide
CID 107300160
2-hydroxy-3-[(2-methylthiolane-2-carbonyl)amino]propanoic acid
CID 81451719
N-[(2S)-1-hydroxybutan-2-yl]-2-methylthiolane-2-carboxamide
CID 104981247
N-(3-chlorobutyl)-2-methylthiolane-2-carboxamide
CID 114301927
N-(3-cyanopropyl)-2-methylthiolane-2-carboxamide
CID 81451532
N-methoxy-2-methylthiolane-2-carboxamide
CID 80980317

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide (CID 114751515) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide is CC1(C(=O)NCC2(CCO)CC2)CCCS1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide?
The InChIKey is RGPNHKZTTLYSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-11(3-2-8-16-11)10(15)13-9-12(4-5-12)6-7-14/h14H,2-9H2,1H3,(H,13,15).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide has a molecular weight of 243.37 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-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 114751515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).