2-methyl-N-(2-methylpropyl)propanethioamide

C8H17NS — CID 59465268

IUPAC2-methyl-N-(2-methylpropyl)propanethioamide
SMILESCC(C)CNC(=S)C(C)C
InChIInChI=1S/C8H17NS/c1-6(2)5-9-8(10)7(3)4/h6-7H,5H2,1-4H3,(H,9,10)
InChIKeyYPHJZXJDTPXBAH-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.22
Rot. Bonds3

About 2-methyl-N-(2-methylpropyl)propanethioamide

2-methyl-N-(2-methylpropyl)propanethioamide (PubChem CID 59465268) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)propanethioamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)propanethioamide
PubChem CID59465268
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-methyl-N-(2-methylpropyl)propanethioamide
SMILESCC(C)CNC(=S)C(C)C
InChIInChI=1S/C8H17NS/c1-6(2)5-9-8(10)7(3)4/h6-7H,5H2,1-4H3,(H,9,10)
InChIKeyYPHJZXJDTPXBAH-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)propanethioamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)propanethioamide (CID 59465268) is 2-methyl-N-(2-methylpropyl)propanethioamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)propanethioamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)propanethioamide is CC(C)CNC(=S)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)propanethioamide?
The InChIKey is YPHJZXJDTPXBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-6(2)5-9-8(10)7(3)4/h6-7H,5H2,1-4H3,(H,9,10).
What are the key properties of 2-methyl-N-(2-methylpropyl)propanethioamide?
2-methyl-N-(2-methylpropyl)propanethioamide has a molecular weight of 159.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)propanethioamide is sourced from PubChem (CID 59465268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).