N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide

C12H25NO2S — CID 174332037

IUPACN-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N(CCO)CC(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-10(2)16-8-11(15)13(6-7-14)9-12(3,4)5/h10,14H,6-9H2,1-5H3
InChIKeyHUEKZRFMNNGBNT-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.00
Rot. Bonds6

About N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide

N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide (PubChem CID 174332037) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide
PubChem CID174332037
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N(CCO)CC(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-10(2)16-8-11(15)13(6-7-14)9-12(3,4)5/h10,14H,6-9H2,1-5H3
InChIKeyHUEKZRFMNNGBNT-UHFFFAOYSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide (CID 174332037) is N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)N(CCO)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is HUEKZRFMNNGBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10(2)16-8-11(15)13(6-7-14)9-12(3,4)5/h10,14H,6-9H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide?
N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 247.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 174332037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).