N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide

C9H18N2O3S2 — CID 66420061

IUPACN-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide
SMILESCS(=O)(=O)CCNC(=O)CC1CSCCN1
InChIInChI=1S/C9H18N2O3S2/c1-16(13,14)5-3-11-9(12)6-8-7-15-4-2-10-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyILIMTPLFBVBJMP-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.76
Rot. Bonds5

About N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide

N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420061) has the molecular formula C9H18N2O3S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420061
Molecular FormulaC9H18N2O3S2
Molecular Weight266.39 g/mol
Exact Mass266.08
IUPAC NameN-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide
SMILESCS(=O)(=O)CCNC(=O)CC1CSCCN1
InChIInChI=1S/C9H18N2O3S2/c1-16(13,14)5-3-11-9(12)6-8-7-15-4-2-10-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyILIMTPLFBVBJMP-UHFFFAOYSA-N
XLogP-0.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide (CID 66420061) is N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide is CS(=O)(=O)CCNC(=O)CC1CSCCN1.
What is the InChIKey of N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is ILIMTPLFBVBJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S2/c1-16(13,14)5-3-11-9(12)6-8-7-15-4-2-10-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide?
N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 266.39 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).