N,2-dimethylpropanethioamide;N-propan-2-ylacetamide

C10H22N2OS — CID 160627169

IUPACN,2-dimethylpropanethioamide;N-propan-2-ylacetamide
SMILESCC(=O)NC(C)C.CNC(=S)C(C)C
InChIInChI=1S/C5H11NO.C5H11NS/c1-4(2)6-5(3)7;1-4(2)5(7)6-3/h2*4H,1-3H3,(H,6,7)
InChIKeyRHLMUSBDEGLIKW-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.72
Rot. Bonds2

About N,2-dimethylpropanethioamide;N-propan-2-ylacetamide

N,2-dimethylpropanethioamide;N-propan-2-ylacetamide (PubChem CID 160627169) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is N,2-dimethylpropanethioamide;N-propan-2-ylacetamide.

Molecular Properties

Compound NameN,2-dimethylpropanethioamide;N-propan-2-ylacetamide
PubChem CID160627169
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC NameN,2-dimethylpropanethioamide;N-propan-2-ylacetamide
SMILESCC(=O)NC(C)C.CNC(=S)C(C)C
InChIInChI=1S/C5H11NO.C5H11NS/c1-4(2)6-5(3)7;1-4(2)5(7)6-3/h2*4H,1-3H3,(H,6,7)
InChIKeyRHLMUSBDEGLIKW-UHFFFAOYSA-N
XLogP1.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,2-dimethylpropanethioamide;N-propan-2-ylacetamide?
The IUPAC name of N,2-dimethylpropanethioamide;N-propan-2-ylacetamide (CID 160627169) is N,2-dimethylpropanethioamide;N-propan-2-ylacetamide.
What is the SMILES notation for N,2-dimethylpropanethioamide;N-propan-2-ylacetamide?
The canonical SMILES for N,2-dimethylpropanethioamide;N-propan-2-ylacetamide is CC(=O)NC(C)C.CNC(=S)C(C)C.
What is the InChIKey of N,2-dimethylpropanethioamide;N-propan-2-ylacetamide?
The InChIKey is RHLMUSBDEGLIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C5H11NS/c1-4(2)6-5(3)7;1-4(2)5(7)6-3/h2*4H,1-3H3,(H,6,7).
What are the key properties of N,2-dimethylpropanethioamide;N-propan-2-ylacetamide?
N,2-dimethylpropanethioamide;N-propan-2-ylacetamide has a molecular weight of 218.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropanethioamide;N-propan-2-ylacetamide is sourced from PubChem (CID 160627169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).