N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide

C9H20N2OS — CID 119434267

IUPACN-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
SMILESCNCCCNC(=O)CCCSC
InChIInChI=1S/C9H20N2OS/c1-10-6-4-7-11-9(12)5-3-8-13-2/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyRYMXMLAQQRPIJJ-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.86
Rot. Bonds8

About N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide

N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide (PubChem CID 119434267) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
PubChem CID119434267
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC NameN-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
SMILESCNCCCNC(=O)CCCSC
InChIInChI=1S/C9H20N2OS/c1-10-6-4-7-11-9(12)5-3-8-13-2/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyRYMXMLAQQRPIJJ-UHFFFAOYSA-N
XLogP0.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide 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

4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
CID 79191399
4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide
CID 155456056
N-[3-(methylamino)propyl]butanamide
CID 43600791
10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049
N,N-dimethyl-2-[4-[3-(methylamino)propylamino]-4-oxobutyl]sulfanylethanamine oxide
CID 145262265
5-hydroxy-N-(2-methylsulfanylethyl)pentanamide
CID 79198659
N-(2-methylsulfanylethyl)-5-oxopentanamide
CID 58340929
7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide
CID 115738998
6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
CID 168958989
N-(5-methylsulfanylpentyl)propanamide
CID 104920124
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide?
The IUPAC name of N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide (CID 119434267) is N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide?
The canonical SMILES for N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide is CNCCCNC(=O)CCCSC.
What is the InChIKey of N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide?
The InChIKey is RYMXMLAQQRPIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-10-6-4-7-11-9(12)5-3-8-13-2/h10H,3-8H2,1-2H3,(H,11,12).
What are the key properties of N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide?
N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide has a molecular weight of 204.34 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 119434267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).