3-methylsulfanyl-N-propylpropanamide

C7H15NOS — CID 60637635

IUPAC3-methylsulfanyl-N-propylpropanamide
SMILESCCCNC(=O)CCSC
InChIInChI=1S/C7H15NOS/c1-3-5-8-7(9)4-6-10-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyZGBLMOVXRIDIMH-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.27
Rot. Bonds5

About 3-methylsulfanyl-N-propylpropanamide

3-methylsulfanyl-N-propylpropanamide (PubChem CID 60637635) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-methylsulfanyl-N-propylpropanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-propylpropanamide
PubChem CID60637635
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-methylsulfanyl-N-propylpropanamide
SMILESCCCNC(=O)CCSC
InChIInChI=1S/C7H15NOS/c1-3-5-8-7(9)4-6-10-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyZGBLMOVXRIDIMH-UHFFFAOYSA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111345278
N,N'-dipropyldecanediamide
CID 102239298
3-methylsulfanyl-N-pent-4-ynylpropanamide
CID 103708752
3-bromo-N-propylpropanamide
CID 12680973
N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide
CID 60668278
N-[2-(2-chloroethoxy)ethyl]-3-methylsulfanylpropanamide
CID 114297749
N-hex-5-ynyl-3-methylsulfanylpropanamide
CID 103757804
N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide
CID 65114452
2-[[2-(3-methylsulfanylpropanoylamino)acetyl]amino]acetic acid
CID 43387642
ethane;N-methyl-3-methylsulfanylpropanamide
CID 143646682
ethyl 4-(2-methylsulfanylethylamino)-4-oxobutanoate
CID 60637595

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-propylpropanamide?
The IUPAC name of 3-methylsulfanyl-N-propylpropanamide (CID 60637635) is 3-methylsulfanyl-N-propylpropanamide.
What is the SMILES notation for 3-methylsulfanyl-N-propylpropanamide?
The canonical SMILES for 3-methylsulfanyl-N-propylpropanamide is CCCNC(=O)CCSC.
What is the InChIKey of 3-methylsulfanyl-N-propylpropanamide?
The InChIKey is ZGBLMOVXRIDIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-3-5-8-7(9)4-6-10-2/h3-6H2,1-2H3,(H,8,9).
What are the key properties of 3-methylsulfanyl-N-propylpropanamide?
3-methylsulfanyl-N-propylpropanamide has a molecular weight of 161.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-propylpropanamide is sourced from PubChem (CID 60637635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).