2-methylsulfanyl-N-propylpropanamide

C7H15NOS — CID 131085433

IUPAC2-methylsulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)SC
InChIInChI=1S/C7H15NOS/c1-4-5-8-7(9)6(2)10-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyCTMXORVHFMWEAD-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.26
Rot. Bonds4

About 2-methylsulfanyl-N-propylpropanamide

2-methylsulfanyl-N-propylpropanamide (PubChem CID 131085433) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-methylsulfanyl-N-propylpropanamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-propylpropanamide
PubChem CID131085433
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-methylsulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)SC
InChIInChI=1S/C7H15NOS/c1-4-5-8-7(9)6(2)10-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyCTMXORVHFMWEAD-UHFFFAOYSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide
CID 71941856
2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide
CID 103706063
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
CID 159729828
2-methyl-3-(2-methylsulfanylpropanoylamino)propanoic acid
CID 115731422
2-iodo-N-propylpropanamide
CID 64787589
3,3-dimethyl-N-propyl-2-sulfanylbutanamide
CID 143641927
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
N-methyl-2-methylsulfanylpropanamide
CID 55208447
2-amino-N-propylpropanamide;ethane
CID 142837247
methylsulfanyl N-propylcarbamate
CID 154454730
2-(2-methylsulfanylpropanoylamino)propanoic acid
CID 22950848
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-propylpropanamide?
The IUPAC name of 2-methylsulfanyl-N-propylpropanamide (CID 131085433) is 2-methylsulfanyl-N-propylpropanamide.
What is the SMILES notation for 2-methylsulfanyl-N-propylpropanamide?
The canonical SMILES for 2-methylsulfanyl-N-propylpropanamide is CCCNC(=O)C(C)SC.
What is the InChIKey of 2-methylsulfanyl-N-propylpropanamide?
The InChIKey is CTMXORVHFMWEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-4-5-8-7(9)6(2)10-3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of 2-methylsulfanyl-N-propylpropanamide?
2-methylsulfanyl-N-propylpropanamide has a molecular weight of 161.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-propylpropanamide is sourced from PubChem (CID 131085433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).