2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide

C11H20N2O2S — CID 102862520

IUPAC2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide
SMILESCCC(C(=O)N(CCO)C1CCC1)C(N)=S
InChIInChI=1S/C11H20N2O2S/c1-2-9(10(12)16)11(15)13(6-7-14)8-4-3-5-8/h8-9,14H,2-7H2,1H3,(H2,12,16)
InChIKeyDLRQGUJUVCXJOW-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.67
Rot. Bonds6

About 2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide

2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide (PubChem CID 102862520) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide
PubChem CID102862520
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide
SMILESCCC(C(=O)N(CCO)C1CCC1)C(N)=S
InChIInChI=1S/C11H20N2O2S/c1-2-9(10(12)16)11(15)13(6-7-14)8-4-3-5-8/h8-9,14H,2-7H2,1H3,(H2,12,16)
InChIKeyDLRQGUJUVCXJOW-UHFFFAOYSA-N
XLogP0.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.67
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

2-(aminomethyl)-N-cyclobutyl-N-(2-hydroxyethyl)butanamide
CID 102861278
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 102861908
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62878440
2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60952653
(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 113353384
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)propanamide
CID 60949797
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide
CID 55128739
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methoxypropanamide
CID 106112194
4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496341
2-acetamido-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102684935
N-benzyl-2-carbamothioyl-N-(2-hydroxyethyl)butanamide
CID 55040766
3-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)pentanamide
CID 81086894

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide (CID 102862520) is 2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide is CCC(C(=O)N(CCO)C1CCC1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide?
The InChIKey is DLRQGUJUVCXJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-2-9(10(12)16)11(15)13(6-7-14)8-4-3-5-8/h8-9,14H,2-7H2,1H3,(H2,12,16).
What are the key properties of 2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide?
2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide has a molecular weight of 244.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 102862520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).