N-methyl-N-propyl-3-propylsulfanylpropanamide

C10H21NOS — CID 88902574

IUPACN-methyl-N-propyl-3-propylsulfanylpropanamide
SMILESCCCSCCC(=O)N(C)CCC
InChIInChI=1S/C10H21NOS/c1-4-7-11(3)10(12)6-9-13-8-5-2/h4-9H2,1-3H3
InChIKeyRSHUSNQFZANDJL-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.39
Rot. Bonds7

About N-methyl-N-propyl-3-propylsulfanylpropanamide

N-methyl-N-propyl-3-propylsulfanylpropanamide (PubChem CID 88902574) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-methyl-N-propyl-3-propylsulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-propyl-3-propylsulfanylpropanamide
PubChem CID88902574
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-methyl-N-propyl-3-propylsulfanylpropanamide
SMILESCCCSCCC(=O)N(C)CCC
InChIInChI=1S/C10H21NOS/c1-4-7-11(3)10(12)6-9-13-8-5-2/h4-9H2,1-3H3
InChIKeyRSHUSNQFZANDJL-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propylsulfanyl-N,N-di(tetradecyl)propanamide
CID 170052716
3-[methyl-(2-propylsulfanylacetyl)amino]propanoic acid
CID 115731280
N,N-dibutyl-3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 559874
2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569016
N-methyl-3-methylsulfonyl-N-propylpropanamide
CID 86865992
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl(propanoyl)amino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethylsulfanyl]-N,N-di(tetradecyl)propanamide
CID 172945128
ethane;N-methyl-9-oxo-N-propylundecanamide
CID 170584314
3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide
CID 148563347
tert-butyl 4-[methyl(propyl)amino]-4-oxobutanoate
CID 106707015
N-(2-bromoethyl)-N-methylbutanamide
CID 80658424
N-(2-cyanoethyl)-3-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methylpropanamide
CID 114233668
ethyl 2-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]sulfanylacetate
CID 43618381

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-3-propylsulfanylpropanamide?
The IUPAC name of N-methyl-N-propyl-3-propylsulfanylpropanamide (CID 88902574) is N-methyl-N-propyl-3-propylsulfanylpropanamide.
What is the SMILES notation for N-methyl-N-propyl-3-propylsulfanylpropanamide?
The canonical SMILES for N-methyl-N-propyl-3-propylsulfanylpropanamide is CCCSCCC(=O)N(C)CCC.
What is the InChIKey of N-methyl-N-propyl-3-propylsulfanylpropanamide?
The InChIKey is RSHUSNQFZANDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-7-11(3)10(12)6-9-13-8-5-2/h4-9H2,1-3H3.
What are the key properties of N-methyl-N-propyl-3-propylsulfanylpropanamide?
N-methyl-N-propyl-3-propylsulfanylpropanamide has a molecular weight of 203.35 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-3-propylsulfanylpropanamide is sourced from PubChem (CID 88902574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).