N-ethyl-N-propan-2-ylmethanethioamide

C6H13NS — CID 54443983

IUPACN-ethyl-N-propan-2-ylmethanethioamide
SMILESCCN(C=S)C(C)C
InChIInChI=1S/C6H13NS/c1-4-7(5-8)6(2)3/h5-6H,4H2,1-3H3
InChIKeyHXKMKJGJPDOXIL-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.67
Rot. Bonds3

About N-ethyl-N-propan-2-ylmethanethioamide

N-ethyl-N-propan-2-ylmethanethioamide (PubChem CID 54443983) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylmethanethioamide.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylmethanethioamide
PubChem CID54443983
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC NameN-ethyl-N-propan-2-ylmethanethioamide
SMILESCCN(C=S)C(C)C
InChIInChI=1S/C6H13NS/c1-4-7(5-8)6(2)3/h5-6H,4H2,1-3H3
InChIKeyHXKMKJGJPDOXIL-UHFFFAOYSA-N
XLogP1.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
CID 71309796
Lithium diisopropylethylamine
CID 86615685
N-ethyl-N-propan-2-ylpropan-2-amine;trihydrofluoride
CID 45108321
bis(N-ethyl-N-propan-2-ylpropan-2-amine);hydrofluoride
CID 159245549
N-but-3-en-2-yl-N-ethylformamide
CID 19012660
N-ethyl-N-fluoropropan-2-amine
CID 146312681
magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride
CID 174345193
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride
CID 159603940
N-ethyl-N-propan-2-ylhydroxylamine
CID 15055159
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide
CID 174682450
N-ethenyl-N-propan-2-ylpentan-1-amine
CID 174943093
N,N-dimethylethanamine;2-methylpropane
CID 145274023

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylmethanethioamide?
The IUPAC name of N-ethyl-N-propan-2-ylmethanethioamide (CID 54443983) is N-ethyl-N-propan-2-ylmethanethioamide.
What is the SMILES notation for N-ethyl-N-propan-2-ylmethanethioamide?
The canonical SMILES for N-ethyl-N-propan-2-ylmethanethioamide is CCN(C=S)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-ylmethanethioamide?
The InChIKey is HXKMKJGJPDOXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-4-7(5-8)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of N-ethyl-N-propan-2-ylmethanethioamide?
N-ethyl-N-propan-2-ylmethanethioamide has a molecular weight of 131.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylmethanethioamide is sourced from PubChem (CID 54443983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).