N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide

C12H23NO2S — CID 56863073

IUPACN-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N(C)CC1CCCCO1
InChIInChI=1S/C12H23NO2S/c1-10(2)16-9-12(14)13(3)8-11-6-4-5-7-15-11/h10-11H,4-9H2,1-3H3
InChIKeyVMSGBFWNCAYJSN-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.16
Rot. Bonds5

About N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide

N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide (PubChem CID 56863073) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide
PubChem CID56863073
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N(C)CC1CCCCO1
InChIInChI=1S/C12H23NO2S/c1-10(2)16-9-12(14)13(3)8-11-6-4-5-7-15-11/h10-11H,4-9H2,1-3H3
InChIKeyVMSGBFWNCAYJSN-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide (CID 56863073) is N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)N(C)CC1CCCCO1.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is VMSGBFWNCAYJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10(2)16-9-12(14)13(3)8-11-6-4-5-7-15-11/h10-11H,4-9H2,1-3H3.
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide?
N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 245.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 56863073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).