N,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide

C9H17NO2S — CID 75514033

IUPACN,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide
SMILESCC1OCCC1SCC(=O)N(C)C
InChIInChI=1S/C9H17NO2S/c1-7-8(4-5-12-7)13-6-9(11)10(2)3/h7-8H,4-6H2,1-3H3
InChIKeySQMAVEFOHHBRQG-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.99
Rot. Bonds3

About N,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide

N,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide (PubChem CID 75514033) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide
PubChem CID75514033
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide
SMILESCC1OCCC1SCC(=O)N(C)C
InChIInChI=1S/C9H17NO2S/c1-7-8(4-5-12-7)13-6-9(11)10(2)3/h7-8H,4-6H2,1-3H3
InChIKeySQMAVEFOHHBRQG-UHFFFAOYSA-N
XLogP0.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide?
The IUPAC name of N,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide (CID 75514033) is N,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide.
What is the SMILES notation for N,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide?
The canonical SMILES for N,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide is CC1OCCC1SCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide?
The InChIKey is SQMAVEFOHHBRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-7-8(4-5-12-7)13-6-9(11)10(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide?
N,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide has a molecular weight of 203.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methyloxolan-3-yl)sulfanylacetamide is sourced from PubChem (CID 75514033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).