N-(3-amino-3-sulfanylidenepropyl)propanamide

C6H12N2OS — CID 62665728

IUPACN-(3-amino-3-sulfanylidenepropyl)propanamide
SMILESCCC(=O)NCCC(N)=S
InChIInChI=1S/C6H12N2OS/c1-2-6(9)8-4-3-5(7)10/h2-4H2,1H3,(H2,7,10)(H,8,9)
InChIKeyBTCLVVJADLYTIS-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.19
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)propanamide

N-(3-amino-3-sulfanylidenepropyl)propanamide (PubChem CID 62665728) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)propanamide
PubChem CID62665728
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)propanamide
SMILESCCC(=O)NCCC(N)=S
InChIInChI=1S/C6H12N2OS/c1-2-6(9)8-4-3-5(7)10/h2-4H2,1H3,(H2,7,10)(H,8,9)
InChIKeyBTCLVVJADLYTIS-UHFFFAOYSA-N
XLogP0.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)propanamide 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-(2-amino-2-sulfanylideneethyl)propanamide
CID 61126887
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
1-(3-amino-3-sulfanylidenepropyl)-3-butylurea
CID 62666323
11-(propanoylamino)undecanamide
CID 89244012
3-(3-amino-3-sulfanylidenepropyl)-1,1-dimethylurea
CID 79153293
N-(3-methylbut-3-enyl)propanamide
CID 89197899
molecular hydrogen;N-(3-oxopentyl)propanamide
CID 142546391
methyl 3-[(3-amino-3-sulfanylidenepropanoyl)amino]propanoate
CID 61293180
N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide
CID 62666877
N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide
CID 62667824
N-(3-aminopropyl)propanamide
CID 21290277
N-(3-amino-3-sulfanylidenepropyl)-4-ethylbenzamide
CID 62668181

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)propanamide (CID 62665728) is N-(3-amino-3-sulfanylidenepropyl)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)propanamide is CCC(=O)NCCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)propanamide?
The InChIKey is BTCLVVJADLYTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-2-6(9)8-4-3-5(7)10/h2-4H2,1H3,(H2,7,10)(H,8,9).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)propanamide?
N-(3-amino-3-sulfanylidenepropyl)propanamide has a molecular weight of 160.24 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)propanamide is sourced from PubChem (CID 62665728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).