N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide

C7H14N2OS — CID 61119498

IUPACN-(1-amino-1-sulfanylidenebutan-2-yl)propanamide
SMILESCCC(=O)NC(CC)C(N)=S
InChIInChI=1S/C7H14N2OS/c1-3-5(7(8)11)9-6(10)4-2/h5H,3-4H2,1-2H3,(H2,8,11)(H,9,10)
InChIKeyWSKQQJLYWVLXLJ-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.58
Rot. Bonds4

About N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide

N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide (PubChem CID 61119498) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenebutan-2-yl)propanamide
PubChem CID61119498
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC NameN-(1-amino-1-sulfanylidenebutan-2-yl)propanamide
SMILESCCC(=O)NC(CC)C(N)=S
InChIInChI=1S/C7H14N2OS/c1-3-5(7(8)11)9-6(10)4-2/h5H,3-4H2,1-2H3,(H2,8,11)(H,9,10)
InChIKeyWSKQQJLYWVLXLJ-UHFFFAOYSA-N
XLogP0.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-methylphenyl)acetamide
CID 61120290
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 61118898
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61121082
N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide
CID 65216211
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 62718554
N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide
CID 61120703
N-(1-amino-1-sulfanylidenebutan-2-yl)-2,4-dimethylbenzamide
CID 61120496
N-(1-amino-1-sulfanylidenebutan-2-yl)-3,4,5-trimethoxybenzamide
CID 61119501
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 107731519
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107675964
phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
CID 61124407
1-(1-amino-1-sulfanylidenebutan-2-yl)-3-(4-methylphenyl)urea
CID 61122605

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide?
The IUPAC name of N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide (CID 61119498) is N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide is CCC(=O)NC(CC)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide?
The InChIKey is WSKQQJLYWVLXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-3-5(7(8)11)9-6(10)4-2/h5H,3-4H2,1-2H3,(H2,8,11)(H,9,10).
What are the key properties of N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide?
N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide has a molecular weight of 174.27 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide is sourced from PubChem (CID 61119498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).