2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide

C12H24N2OS2 — CID 75377524

IUPAC2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide
SMILESCSCC(C)CNC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C12H24N2OS2/c1-10(8-16-4)7-13-11(15)14-5-6-17-12(2,3)9-14/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyOHLBRYMUKNRJGJ-UHFFFAOYSA-N
MW276.47 g/mol
LogP2.52
Rot. Bonds4

About 2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide

2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide (PubChem CID 75377524) has the molecular formula C12H24N2OS2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide
PubChem CID75377524
Molecular FormulaC12H24N2OS2
Molecular Weight276.47 g/mol
Exact Mass276.13
IUPAC Name2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide
SMILESCSCC(C)CNC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C12H24N2OS2/c1-10(8-16-4)7-13-11(15)14-5-6-17-12(2,3)9-14/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyOHLBRYMUKNRJGJ-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide (CID 75377524) is 2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide is CSCC(C)CNC(=O)N1CCSC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide?
The InChIKey is OHLBRYMUKNRJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS2/c1-10(8-16-4)7-13-11(15)14-5-6-17-12(2,3)9-14/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of 2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide?
2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide has a molecular weight of 276.47 g/mol, XLogP of 2.52, 4 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-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 75377524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).