N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide

C9H19NO2S — CID 112697996

IUPACN-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide
SMILESCSCCN(C)C(=O)COC(C)C
InChIInChI=1S/C9H19NO2S/c1-8(2)12-7-9(11)10(3)5-6-13-4/h8H,5-7H2,1-4H3
InChIKeySBEMBMAXSLBQNN-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.23
Rot. Bonds6

About N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide

N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide (PubChem CID 112697996) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide
PubChem CID112697996
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide
SMILESCSCCN(C)C(=O)COC(C)C
InChIInChI=1S/C9H19NO2S/c1-8(2)12-7-9(11)10(3)5-6-13-4/h8H,5-7H2,1-4H3
InChIKeySBEMBMAXSLBQNN-UHFFFAOYSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 112666850
N-(3-amino-4-methylpentyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119660231
N-(2-aminopropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112604231
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112696432
N-(2-bromo-3-methoxypropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112604028
3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide
CID 112658917
2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112698009
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119655780
N-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 134164464
2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683567
2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate
CID 112698304
N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide
CID 604826

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide (CID 112697996) is N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide is CSCCN(C)C(=O)COC(C)C.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide?
The InChIKey is SBEMBMAXSLBQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)12-7-9(11)10(3)5-6-13-4/h8H,5-7H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide?
N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide has a molecular weight of 205.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112697996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).