3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide

C10H19NOS — CID 107035168

IUPAC3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide
SMILESCC1CC(NC(=O)C(S)C(C)C)C1
InChIInChI=1S/C10H19NOS/c1-6(2)9(13)10(12)11-8-4-7(3)5-8/h6-9,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyJJGUJDPHZFUHPV-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.86
Rot. Bonds3

About 3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide

3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide (PubChem CID 107035168) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide
PubChem CID107035168
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide
SMILESCC1CC(NC(=O)C(S)C(C)C)C1
InChIInChI=1S/C10H19NOS/c1-6(2)9(13)10(12)11-8-4-7(3)5-8/h6-9,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyJJGUJDPHZFUHPV-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide 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-(3,4-dimethylcyclohexyl)-3-methyl-2-sulfanylbutanamide
CID 107031004
3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 107034259
3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide
CID 104861590
3-methyl-N-(2-methylcycloheptyl)-2-sulfanylbutanamide
CID 107031478
3-methyl-2-sulfanyl-N-(thian-3-yl)butanamide
CID 107035774
N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide
CID 130556652
N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide
CID 107024124
N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
CID 107030989
2-amino-N-[(3S)-3,4-dimethylcyclopentyl]-3-methylbutanamide
CID 142811143
2-methyl-N-(3-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130668952
2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide
CID 64731906
N-(3-methylcyclobutyl)oxetane-2-carboxamide
CID 130660475

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide?
The IUPAC name of 3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide (CID 107035168) is 3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide.
What is the SMILES notation for 3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide?
The canonical SMILES for 3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide is CC1CC(NC(=O)C(S)C(C)C)C1.
What is the InChIKey of 3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide?
The InChIKey is JJGUJDPHZFUHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-6(2)9(13)10(12)11-8-4-7(3)5-8/h6-9,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide?
3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide has a molecular weight of 201.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide is sourced from PubChem (CID 107035168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).