N-(1-methylcyclopropyl)-4-sulfanylbutanamide

C8H15NOS — CID 130595662

IUPACN-(1-methylcyclopropyl)-4-sulfanylbutanamide
SMILESCC1(NC(=O)CCCS)CC1
InChIInChI=1S/C8H15NOS/c1-8(4-5-8)9-7(10)3-2-6-11/h11H,2-6H2,1H3,(H,9,10)
InChIKeyZJQYWPRZJGLXOU-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.37
Rot. Bonds4

About N-(1-methylcyclopropyl)-4-sulfanylbutanamide

N-(1-methylcyclopropyl)-4-sulfanylbutanamide (PubChem CID 130595662) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-4-sulfanylbutanamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-4-sulfanylbutanamide
PubChem CID130595662
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC NameN-(1-methylcyclopropyl)-4-sulfanylbutanamide
SMILESCC1(NC(=O)CCCS)CC1
InChIInChI=1S/C8H15NOS/c1-8(4-5-8)9-7(10)3-2-6-11/h11H,2-6H2,1H3,(H,9,10)
InChIKeyZJQYWPRZJGLXOU-UHFFFAOYSA-N
XLogP1.37
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-methylcyclopropyl)-4-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-(1-methylcyclohexyl)-3-sulfanylpropanamide
CID 107027315
N-(1-methylcyclopropyl)pent-4-enamide
CID 131210257
2-(dimethylamino)-N-(1-methylcyclopropyl)acetamide
CID 126991382
N-(1-methylcyclopentyl)pent-4-ynamide
CID 130688553
4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide
CID 11817935
4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide
CID 23568508
N-(1-methylcyclopentyl)-2-methylsulfanylacetamide
CID 131154660
N-(1-methylcyclobutyl)propanamide
CID 115766065
3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide
CID 104865818
5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60940763
5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide
CID 43697288
N-(3-methylpyrrolidin-3-yl)decanamide
CID 107422812

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-4-sulfanylbutanamide?
The IUPAC name of N-(1-methylcyclopropyl)-4-sulfanylbutanamide (CID 130595662) is N-(1-methylcyclopropyl)-4-sulfanylbutanamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-4-sulfanylbutanamide?
The canonical SMILES for N-(1-methylcyclopropyl)-4-sulfanylbutanamide is CC1(NC(=O)CCCS)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-4-sulfanylbutanamide?
The InChIKey is ZJQYWPRZJGLXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-8(4-5-8)9-7(10)3-2-6-11/h11H,2-6H2,1H3,(H,9,10).
What are the key properties of N-(1-methylcyclopropyl)-4-sulfanylbutanamide?
N-(1-methylcyclopropyl)-4-sulfanylbutanamide has a molecular weight of 173.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-4-sulfanylbutanamide is sourced from PubChem (CID 130595662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).