3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide

C8H16N2OS — CID 28942423

IUPAC3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide
SMILESCC(C)CCNC(=O)CC(N)=S
InChIInChI=1S/C8H16N2OS/c1-6(2)3-4-10-8(11)5-7(9)12/h6H,3-5H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyVBECNJGJEAQUKY-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.82
Rot. Bonds5

About 3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide

3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide (PubChem CID 28942423) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide
PubChem CID28942423
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide
SMILESCC(C)CCNC(=O)CC(N)=S
InChIInChI=1S/C8H16N2OS/c1-6(2)3-4-10-8(11)5-7(9)12/h6H,3-5H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyVBECNJGJEAQUKY-UHFFFAOYSA-N
XLogP0.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.82
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

3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide
CID 65416830
2-(2-carbamothioylphenoxy)-N-(3-methylbutyl)acetamide
CID 24698242
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
1,3-bis(3-methylbutyl)urea
CID 22563958
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
2-(2-carbamothioyl-3-chlorophenoxy)-N-(3-methylbutyl)acetamide
CID 114322981
2-(3-carbamothioyl-5-methoxyphenoxy)-N-(3-methylbutyl)acetamide
CID 103567236
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032129
N-(3-methylbutyl)-1-phosphanylformamide
CID 143734498
2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
CID 66219969

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide (CID 28942423) is 3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide is CC(C)CCNC(=O)CC(N)=S.
What is the InChIKey of 3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide?
The InChIKey is VBECNJGJEAQUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6(2)3-4-10-8(11)5-7(9)12/h6H,3-5H2,1-2H3,(H2,9,12)(H,10,11).
What are the key properties of 3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide?
3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide has a molecular weight of 188.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 28942423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).