3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide

C9H20N2S — CID 43265791

IUPAC3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)C(C)C
InChIInChI=1S/C9H20N2S/c1-5-11(7(2)3)6-8(4)9(10)12/h7-8H,5-6H2,1-4H3,(H2,10,12)
InChIKeySAPOBYKJPROWKS-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.64
Rot. Bonds5

About 3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide

3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide (PubChem CID 43265791) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide
PubChem CID43265791
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)C(C)C
InChIInChI=1S/C9H20N2S/c1-5-11(7(2)3)6-8(4)9(10)12/h7-8H,5-6H2,1-4H3,(H2,10,12)
InChIKeySAPOBYKJPROWKS-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanethioamide
CID 61604431
3-[Ethyl(2-fluoroethyl)amino]-2-methylpropanethioamide
CID 80694226
3-[2-Fluoroethyl(propan-2-yl)amino]propanethioamide
CID 80694392
3-[2-Fluoroethyl(2-methylpropyl)amino]propanethioamide
CID 80694550
3-[3-Fluoropropyl(propan-2-yl)amino]propanethioamide
CID 81105263
3-[3-Fluoropropyl(2-methylpropyl)amino]propanethioamide
CID 81105433
3-[Ethyl(3-fluoropropyl)amino]-2-methylpropanethioamide
CID 81105923
3-[3-Fluoropropyl(methyl)amino]butanethioamide
CID 81105925
3-[3-Fluoropropyl(methyl)amino]-2-methylpropanethioamide
CID 81106092
3,3,3-Trifluoro-2-[[methyl(propan-2-yl)amino]methyl]propanethioamide
CID 103368494
2-[[Ethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanethioamide
CID 103368520
3,3,3-Trifluoro-2-[[propan-2-yl(propyl)amino]methyl]propanethioamide
CID 103368524

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide?
The IUPAC name of 3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide (CID 43265791) is 3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide is CCN(CC(C)C(N)=S)C(C)C.
What is the InChIKey of 3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide?
The InChIKey is SAPOBYKJPROWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-5-11(7(2)3)6-8(4)9(10)12/h7-8H,5-6H2,1-4H3,(H2,10,12).
What are the key properties of 3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide?
3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide has a molecular weight of 188.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propan-2-yl)amino]-2-methylpropanethioamide is sourced from PubChem (CID 43265791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).