ethane;N-propyl-6-propylsulfanylhexanamide

C16H37NOS — CID 145373155

IUPACethane;N-propyl-6-propylsulfanylhexanamide
SMILESCC.CC.CCCNC(=O)CCCCCSCCC
InChIInChI=1S/C12H25NOS.2C2H6/c1-3-9-13-12(14)8-6-5-7-11-15-10-4-2;2*1-2/h3-11H2,1-2H3,(H,13,14);2*1-2H3
InChIKeyVXQFHHSTQQGQSZ-UHFFFAOYSA-N
MW291.55 g/mol
LogP5.27
Rot. Bonds10

About ethane;N-propyl-6-propylsulfanylhexanamide

ethane;N-propyl-6-propylsulfanylhexanamide (PubChem CID 145373155) has the molecular formula C16H37NOS and a molecular weight of 291.55 g/mol. Its IUPAC name is ethane;N-propyl-6-propylsulfanylhexanamide.

Molecular Properties

Compound Nameethane;N-propyl-6-propylsulfanylhexanamide
PubChem CID145373155
Molecular FormulaC16H37NOS
Molecular Weight291.55 g/mol
Exact Mass291.26
IUPAC Nameethane;N-propyl-6-propylsulfanylhexanamide
SMILESCC.CC.CCCNC(=O)CCCCCSCCC
InChIInChI=1S/C12H25NOS.2C2H6/c1-3-9-13-12(14)8-6-5-7-11-15-10-4-2;2*1-2/h3-11H2,1-2H3,(H,13,14);2*1-2H3
InChIKeyVXQFHHSTQQGQSZ-UHFFFAOYSA-N
XLogP5.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.55
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-propyl-6-propylsulfanylhexanamide 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,N'-dipropyldecanediamide
CID 102239298
6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide
CID 71350823
ethane;N-propylheptanamide
CID 145289188
N-(3-ethylsulfanylpropyl)octadecanamide
CID 140994811
12-oxo-N-propyltridecanamide
CID 135223938
sodium;hydride;N-propyldodecanamide
CID 172999662
ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide
CID 145289117
11-octadecylsulfanylundecanehydrazide
CID 18183822
8-oxo-N-propyldecanamide
CID 156819961
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
10-propylsulfanyldecan-2-one
CID 158917708

Frequently Asked Questions

What is the IUPAC name of ethane;N-propyl-6-propylsulfanylhexanamide?
The IUPAC name of ethane;N-propyl-6-propylsulfanylhexanamide (CID 145373155) is ethane;N-propyl-6-propylsulfanylhexanamide.
What is the SMILES notation for ethane;N-propyl-6-propylsulfanylhexanamide?
The canonical SMILES for ethane;N-propyl-6-propylsulfanylhexanamide is CC.CC.CCCNC(=O)CCCCCSCCC.
What is the InChIKey of ethane;N-propyl-6-propylsulfanylhexanamide?
The InChIKey is VXQFHHSTQQGQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS.2C2H6/c1-3-9-13-12(14)8-6-5-7-11-15-10-4-2;2*1-2/h3-11H2,1-2H3,(H,13,14);2*1-2H3.
What are the key properties of ethane;N-propyl-6-propylsulfanylhexanamide?
ethane;N-propyl-6-propylsulfanylhexanamide has a molecular weight of 291.55 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-propyl-6-propylsulfanylhexanamide is sourced from PubChem (CID 145373155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).