N-(5-methylsulfanylpentyl)propanamide

C9H19NOS — CID 104920124

IUPACN-(5-methylsulfanylpentyl)propanamide
SMILESCCC(=O)NCCCCCSC
InChIInChI=1S/C9H19NOS/c1-3-9(11)10-7-5-4-6-8-12-2/h3-8H2,1-2H3,(H,10,11)
InChIKeyCLFFECXFYRWKTI-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.05
Rot. Bonds7

About N-(5-methylsulfanylpentyl)propanamide

N-(5-methylsulfanylpentyl)propanamide (PubChem CID 104920124) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-(5-methylsulfanylpentyl)propanamide.

Molecular Properties

Compound NameN-(5-methylsulfanylpentyl)propanamide
PubChem CID104920124
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-(5-methylsulfanylpentyl)propanamide
SMILESCCC(=O)NCCCCCSC
InChIInChI=1S/C9H19NOS/c1-3-9(11)10-7-5-4-6-8-12-2/h3-8H2,1-2H3,(H,10,11)
InChIKeyCLFFECXFYRWKTI-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-methylsulfanylpentyl)propanamide 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-(4-methylsulfanylbutyl)acetamide
CID 115635829
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
ethane;N-undecylpropanamide
CID 155706114
N-[10-[(2-hydroxyacetyl)amino]decyl]propanamide;neodymium
CID 171554602
methyl N-(4-methylsulfanylbutyl)carbamate
CID 115637048
N-(12-oxotridecyl)propanamide
CID 171540592
ethane;methanethiol;N-nonylpropanamide
CID 177150000
11-(propanoylamino)undecanamide
CID 89244012
N-[5-[5-(propylamino)pentylamino]pentyl]propanamide
CID 58435562
(2R)-2-(6-methylsulfanylhexylcarbamoylamino)butanoic acid
CID 114126333
2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide
CID 115760384
4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide
CID 114125401

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanylpentyl)propanamide?
The IUPAC name of N-(5-methylsulfanylpentyl)propanamide (CID 104920124) is N-(5-methylsulfanylpentyl)propanamide.
What is the SMILES notation for N-(5-methylsulfanylpentyl)propanamide?
The canonical SMILES for N-(5-methylsulfanylpentyl)propanamide is CCC(=O)NCCCCCSC.
What is the InChIKey of N-(5-methylsulfanylpentyl)propanamide?
The InChIKey is CLFFECXFYRWKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-3-9(11)10-7-5-4-6-8-12-2/h3-8H2,1-2H3,(H,10,11).
What are the key properties of N-(5-methylsulfanylpentyl)propanamide?
N-(5-methylsulfanylpentyl)propanamide has a molecular weight of 189.32 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpentyl)propanamide is sourced from PubChem (CID 104920124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).