N-methylsulfanyl-N-propanoylpropanamide

C7H13NO2S — CID 174372922

IUPACN-methylsulfanyl-N-propanoylpropanamide
SMILESCCC(=O)N(SC)C(=O)CC
InChIInChI=1S/C7H13NO2S/c1-4-6(9)8(11-3)7(10)5-2/h4-5H2,1-3H3
InChIKeyYJHCICJMFRQWOF-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.44
Rot. Bonds3

About N-methylsulfanyl-N-propanoylpropanamide

N-methylsulfanyl-N-propanoylpropanamide (PubChem CID 174372922) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-methylsulfanyl-N-propanoylpropanamide.

Molecular Properties

Compound NameN-methylsulfanyl-N-propanoylpropanamide
PubChem CID174372922
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-methylsulfanyl-N-propanoylpropanamide
SMILESCCC(=O)N(SC)C(=O)CC
InChIInChI=1S/C7H13NO2S/c1-4-6(9)8(11-3)7(10)5-2/h4-5H2,1-3H3
InChIKeyYJHCICJMFRQWOF-UHFFFAOYSA-N
XLogP1.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-1-en-2-yl-N-methylpropanamide
CID 59841328
N-bromo-N-methylpropanamide
CID 123781354
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284
N-methyl-N-[methyl-bis[methyl(propanoyl)amino]silyl]propanamide
CID 178078649
N,N-bis(trideuteriomethyl)propanamide
CID 155026740
propanoate;uranium(4+)
CID 51035197
N-methoxy-N-methylpropanamide
CID 11344007
N,N-dichloropropanamide;ethane-1,2-diol
CID 87435163
N-formyl-N-hydroxypropanamide
CID 88931883
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922
N-acetyl-N-methylpropanamide;ethane
CID 143328121
ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-N-propanoylpropanamide?
The IUPAC name of N-methylsulfanyl-N-propanoylpropanamide (CID 174372922) is N-methylsulfanyl-N-propanoylpropanamide.
What is the SMILES notation for N-methylsulfanyl-N-propanoylpropanamide?
The canonical SMILES for N-methylsulfanyl-N-propanoylpropanamide is CCC(=O)N(SC)C(=O)CC.
What is the InChIKey of N-methylsulfanyl-N-propanoylpropanamide?
The InChIKey is YJHCICJMFRQWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-4-6(9)8(11-3)7(10)5-2/h4-5H2,1-3H3.
What are the key properties of N-methylsulfanyl-N-propanoylpropanamide?
N-methylsulfanyl-N-propanoylpropanamide has a molecular weight of 175.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-N-propanoylpropanamide is sourced from PubChem (CID 174372922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).