2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide

C10H20N2O2S — CID 82851165

IUPAC2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide
SMILESNC(=S)CN(CC(O)CO)C1CCCC1
InChIInChI=1S/C10H20N2O2S/c11-10(15)6-12(5-9(14)7-13)8-3-1-2-4-8/h8-9,13-14H,1-7H2,(H2,11,15)
InChIKeyBQVYSYRIAQJJIY-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.13
Rot. Bonds6

About 2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide

2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide (PubChem CID 82851165) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide
PubChem CID82851165
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide
SMILESNC(=S)CN(CC(O)CO)C1CCCC1
InChIInChI=1S/C10H20N2O2S/c11-10(15)6-12(5-9(14)7-13)8-3-1-2-4-8/h8-9,13-14H,1-7H2,(H2,11,15)
InChIKeyBQVYSYRIAQJJIY-UHFFFAOYSA-N
XLogP-0.13
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide 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

3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 102867765
2-[cyclopentyl(ethyl)amino]ethanethioamide
CID 43541169
3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol
CID 82850125
3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol
CID 82850075
2-[2,3-dihydroxypropyl(piperidin-4-yl)amino]acetamide
CID 82849875
2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide
CID 114191209
3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol
CID 82850216
1-amino-3-[cyclopentyl(ethyl)amino]propan-2-ol
CID 43541005
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
[cyclohexyl(hydroxymethyl)amino]methanol
CID 14205712
3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol
CID 106599810
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide
CID 110899477

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide?
The IUPAC name of 2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide (CID 82851165) is 2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide.
What is the SMILES notation for 2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide?
The canonical SMILES for 2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide is NC(=S)CN(CC(O)CO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide?
The InChIKey is BQVYSYRIAQJJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c11-10(15)6-12(5-9(14)7-13)8-3-1-2-4-8/h8-9,13-14H,1-7H2,(H2,11,15).
What are the key properties of 2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide?
2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide has a molecular weight of 232.35 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide is sourced from PubChem (CID 82851165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).