3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide

C10H20N2OS — CID 102862712

IUPAC3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide
SMILESCC(CC(N)=S)N(CCO)C1CCC1
InChIInChI=1S/C10H20N2OS/c1-8(7-10(11)14)12(5-6-13)9-3-2-4-9/h8-9,13H,2-7H2,1H3,(H2,11,14)
InChIKeyJVRBMYUFSJRETL-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.90
Rot. Bonds6

About 3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide

3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide (PubChem CID 102862712) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide.

Molecular Properties

Compound Name3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide
PubChem CID102862712
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide
SMILESCC(CC(N)=S)N(CCO)C1CCC1
InChIInChI=1S/C10H20N2OS/c1-8(7-10(11)14)12(5-6-13)9-3-2-4-9/h8-9,13H,2-7H2,1H3,(H2,11,14)
InChIKeyJVRBMYUFSJRETL-UHFFFAOYSA-N
XLogP0.90
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide
CID 61451186
4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one
CID 64696261
2-[cyclohexyl(pentan-2-yl)amino]ethanol
CID 107886016
2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033
3-[2-hydroxyethyl(methyl)amino]butanethioamide
CID 60961415
3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide
CID 62780290
1-[cyclohexyl(2-hydroxyethyl)amino]ethanol
CID 174488564
2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide
CID 102863096
3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide
CID 54994326
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103163701
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanethioamide
CID 107479923
3-[cyclobutyl(2-hydroxyethyl)amino]-2-methylbutanehydrazide
CID 102873737

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide?
The IUPAC name of 3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide (CID 102862712) is 3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide.
What is the SMILES notation for 3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide?
The canonical SMILES for 3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide is CC(CC(N)=S)N(CCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide?
The InChIKey is JVRBMYUFSJRETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(7-10(11)14)12(5-6-13)9-3-2-4-9/h8-9,13H,2-7H2,1H3,(H2,11,14).
What are the key properties of 3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide?
3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide has a molecular weight of 216.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide is sourced from PubChem (CID 102862712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).