N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide

C11H23NS — CID 91125424

IUPACN-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide
SMILESCCN(CC(C)C)C(=S)CC(C)C
InChIInChI=1S/C11H23NS/c1-6-12(8-10(4)5)11(13)7-9(2)3/h9-10H,6-8H2,1-5H3
InChIKeyNZVAYGUFRUQBDY-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.34
Rot. Bonds5

About N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide

N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide (PubChem CID 91125424) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide
PubChem CID91125424
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide
SMILESCCN(CC(C)C)C(=S)CC(C)C
InChIInChI=1S/C11H23NS/c1-6-12(8-10(4)5)11(13)7-9(2)3/h9-10H,6-8H2,1-5H3
InChIKeyNZVAYGUFRUQBDY-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
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 N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide?
The IUPAC name of N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide (CID 91125424) is N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide.
What is the SMILES notation for N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide?
The canonical SMILES for N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide is CCN(CC(C)C)C(=S)CC(C)C.
What is the InChIKey of N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide?
The InChIKey is NZVAYGUFRUQBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-6-12(8-10(4)5)11(13)7-9(2)3/h9-10H,6-8H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide?
N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide has a molecular weight of 201.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide is sourced from PubChem (CID 91125424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).