3-methylsulfanyl-N-propan-2-ylpropanamide

C7H15NOS — CID 21304893

IUPAC3-methylsulfanyl-N-propan-2-ylpropanamide
SMILESCSCCC(=O)NC(C)C
InChIInChI=1S/C7H15NOS/c1-6(2)8-7(9)4-5-10-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyPEGCSSKGUMKGCD-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.26
Rot. Bonds4

About 3-methylsulfanyl-N-propan-2-ylpropanamide

3-methylsulfanyl-N-propan-2-ylpropanamide (PubChem CID 21304893) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-methylsulfanyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-propan-2-ylpropanamide
PubChem CID21304893
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-methylsulfanyl-N-propan-2-ylpropanamide
SMILESCSCCC(=O)NC(C)C
InChIInChI=1S/C7H15NOS/c1-6(2)8-7(9)4-5-10-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyPEGCSSKGUMKGCD-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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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-methylsulfanyl-N-propan-2-ylpropanamide (CID 21304893) is 3-methylsulfanyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-methylsulfanyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-methylsulfanyl-N-propan-2-ylpropanamide is CSCCC(=O)NC(C)C.
What is the InChIKey of 3-methylsulfanyl-N-propan-2-ylpropanamide?
The InChIKey is PEGCSSKGUMKGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6(2)8-7(9)4-5-10-3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of 3-methylsulfanyl-N-propan-2-ylpropanamide?
3-methylsulfanyl-N-propan-2-ylpropanamide 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 3-methylsulfanyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 21304893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).