3-methyl-3-propylsulfanylbutanamide

C8H17NOS — CID 134505082

IUPAC3-methyl-3-propylsulfanylbutanamide
SMILESCCCSC(C)(C)CC(N)=O
InChIInChI=1S/C8H17NOS/c1-4-5-11-8(2,3)6-7(9)10/h4-6H2,1-3H3,(H2,9,10)
InChIKeyKBSBUPCSANFRRA-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.78
Rot. Bonds5

About 3-methyl-3-propylsulfanylbutanamide

3-methyl-3-propylsulfanylbutanamide (PubChem CID 134505082) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-methyl-3-propylsulfanylbutanamide.

Molecular Properties

Compound Name3-methyl-3-propylsulfanylbutanamide
PubChem CID134505082
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-methyl-3-propylsulfanylbutanamide
SMILESCCCSC(C)(C)CC(N)=O
InChIInChI=1S/C8H17NOS/c1-4-5-11-8(2,3)6-7(9)10/h4-6H2,1-3H3,(H2,9,10)
InChIKeyKBSBUPCSANFRRA-UHFFFAOYSA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-propylsulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propylsulfanylbutanamide?
The IUPAC name of 3-methyl-3-propylsulfanylbutanamide (CID 134505082) is 3-methyl-3-propylsulfanylbutanamide.
What is the SMILES notation for 3-methyl-3-propylsulfanylbutanamide?
The canonical SMILES for 3-methyl-3-propylsulfanylbutanamide is CCCSC(C)(C)CC(N)=O.
What is the InChIKey of 3-methyl-3-propylsulfanylbutanamide?
The InChIKey is KBSBUPCSANFRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-4-5-11-8(2,3)6-7(9)10/h4-6H2,1-3H3,(H2,9,10).
What are the key properties of 3-methyl-3-propylsulfanylbutanamide?
3-methyl-3-propylsulfanylbutanamide has a molecular weight of 175.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propylsulfanylbutanamide is sourced from PubChem (CID 134505082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).