3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide

C9H18N2OS — CID 43571357

IUPAC3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide
SMILESCCC(CC)N(C)C(=O)CC(N)=S
InChIInChI=1S/C9H18N2OS/c1-4-7(5-2)11(3)9(12)6-8(10)13/h7H,4-6H2,1-3H3,(H2,10,13)
InChIKeyYXQPSQSGVPTWLA-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.31
Rot. Bonds5

About 3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide

3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide (PubChem CID 43571357) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide
PubChem CID43571357
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide
SMILESCCC(CC)N(C)C(=O)CC(N)=S
InChIInChI=1S/C9H18N2OS/c1-4-7(5-2)11(3)9(12)6-8(10)13/h7H,4-6H2,1-3H3,(H2,10,13)
InChIKeyYXQPSQSGVPTWLA-UHFFFAOYSA-N
XLogP1.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide 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

(3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide
CID 43571543
3-amino-1-methyl-1-pentan-3-ylurea
CID 43571547
N-methyl-N-pentan-3-ylpentanamide
CID 162142543
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide
CID 112659642
1-(1-aminobutan-2-yl)-1-methylurea
CID 82502509
(2S,3S)-2-[(3-amino-3-oxopropanoyl)-methylamino]-3-methylpentanoic acid
CID 154682418
2-(1-aminocyclopentyl)-N-methyl-N-pentan-3-ylacetamide
CID 64685380
3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide
CID 60891970
2-[(1-amino-1-sulfanylidenepentan-3-yl)-propylamino]-N,N-dimethylacetamide
CID 54985350
(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 93248514
2-[(1-amino-1-sulfanylidenepentan-3-yl)-methylamino]-N-propylacetamide
CID 61451371

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide (CID 43571357) is 3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide is CCC(CC)N(C)C(=O)CC(N)=S.
What is the InChIKey of 3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide?
The InChIKey is YXQPSQSGVPTWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-4-7(5-2)11(3)9(12)6-8(10)13/h7H,4-6H2,1-3H3,(H2,10,13).
What are the key properties of 3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide?
3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide has a molecular weight of 202.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide is sourced from PubChem (CID 43571357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).