3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide

C10H20N2OS — CID 63004736

IUPAC3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide
SMILESCC(C)CCCNC(=O)C(C)C(N)=S
InChIInChI=1S/C10H20N2OS/c1-7(2)5-4-6-12-10(13)8(3)9(11)14/h7-8H,4-6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyYMCQQKUQIRFHFP-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.46
Rot. Bonds6

About 3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide

3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide (PubChem CID 63004736) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide
PubChem CID63004736
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide
SMILESCC(C)CCCNC(=O)C(C)C(N)=S
InChIInChI=1S/C10H20N2OS/c1-7(2)5-4-6-12-10(13)8(3)9(11)14/h7-8H,4-6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyYMCQQKUQIRFHFP-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-carbamothioyl-3-methyl-N-(7-methyloctyl)butanamide
CID 107815236
3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide
CID 62993392
3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-2-methyl-3-sulfanylidenepropanamide
CID 83120557
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
1-amino-3-(4-methylpentyl)urea
CID 63004667
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide
CID 63004557
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-(4-methylpentyl)propanamide
CID 54140551
2-acetamido-N-(4-methylpentyl)propanamide
CID 134023295
2-carbamothioyl-2-ethyl-N-(5-methylhexyl)butanamide
CID 115325676
2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
CID 107471697

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide (CID 63004736) is 3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide is CC(C)CCCNC(=O)C(C)C(N)=S.
What is the InChIKey of 3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide?
The InChIKey is YMCQQKUQIRFHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-7(2)5-4-6-12-10(13)8(3)9(11)14/h7-8H,4-6H2,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of 3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide?
3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide has a molecular weight of 216.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 63004736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).