3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide

C7H16N2OS — CID 60960762

IUPAC3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide
SMILESCC(CN(C)CCO)C(N)=S
InChIInChI=1S/C7H16N2OS/c1-6(7(8)11)5-9(2)3-4-10/h6,10H,3-5H2,1-2H3,(H2,8,11)
InChIKeyLTRNBYBUOHQGOE-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.17
Rot. Bonds5

About 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide

3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide (PubChem CID 60960762) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide
PubChem CID60960762
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide
SMILESCC(CN(C)CCO)C(N)=S
InChIInChI=1S/C7H16N2OS/c1-6(7(8)11)5-9(2)3-4-10/h6,10H,3-5H2,1-2H3,(H2,8,11)
InChIKeyLTRNBYBUOHQGOE-UHFFFAOYSA-N
XLogP-0.17
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide (CID 60960762) is 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide is CC(CN(C)CCO)C(N)=S.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide?
The InChIKey is LTRNBYBUOHQGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-6(7(8)11)5-9(2)3-4-10/h6,10H,3-5H2,1-2H3,(H2,8,11).
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide?
3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide has a molecular weight of 176.28 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-2-methylpropanethioamide is sourced from PubChem (CID 60960762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).