2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide

C10H20N2O2S2 — CID 71859673

IUPAC2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide
SMILESCS(=O)CCNC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C10H20N2O2S2/c1-10(2)8-12(5-6-15-10)9(13)11-4-7-16(3)14/h4-8H2,1-3H3,(H,11,13)
InChIKeyRNOVCJHJFOCBCX-UHFFFAOYSA-N
MW264.42 g/mol
LogP0.90
Rot. Bonds3

About 2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide

2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide (PubChem CID 71859673) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide
PubChem CID71859673
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide
SMILESCS(=O)CCNC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C10H20N2O2S2/c1-10(2)8-12(5-6-15-10)9(13)11-4-7-16(3)14/h4-8H2,1-3H3,(H,11,13)
InChIKeyRNOVCJHJFOCBCX-UHFFFAOYSA-N
XLogP0.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide
CID 71859672
2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide
CID 75377524
3-(2-Tert-butylsulfinylethyl)-1,1-diethylurea
CID 60322754
N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 71867717
2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 100704369
N-[(3R)-3-amino-4-fluorobutyl]-1-oxo-1,4-thiazinane-4-carboxamide
CID 143680545
N-methyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 57939455
1-Ethyl-3-(3-thiomorpholin-4-ylpropyl)urea
CID 58817795
1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide
CID 71036856
3-(3-Methylsulfinylpropyl)-1,1-dipropylurea
CID 88978474
N-ethyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 115612253
N,2,6-trimethylthiomorpholine-4-carboxamide
CID 115660979

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide (CID 71859673) is 2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide is CS(=O)CCNC(=O)N1CCSC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide?
The InChIKey is RNOVCJHJFOCBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-10(2)8-12(5-6-15-10)9(13)11-4-7-16(3)14/h4-8H2,1-3H3,(H,11,13).
What are the key properties of 2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide?
2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide has a molecular weight of 264.42 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylsulfinylethyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 71859673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).