2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide

C12H24N2OS2 — CID 71859672

IUPAC2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide
SMILESCSCCC(C)NC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C12H24N2OS2/c1-10(5-7-16-4)13-11(15)14-6-8-17-12(2,3)9-14/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyNYHSDBMBKWJQRT-UHFFFAOYSA-N
MW276.47 g/mol
LogP2.66
Rot. Bonds4

About 2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide

2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide (PubChem CID 71859672) has the molecular formula C12H24N2OS2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide
PubChem CID71859672
Molecular FormulaC12H24N2OS2
Molecular Weight276.47 g/mol
Exact Mass276.13
IUPAC Name2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide
SMILESCSCCC(C)NC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C12H24N2OS2/c1-10(5-7-16-4)13-11(15)14-6-8-17-12(2,3)9-14/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyNYHSDBMBKWJQRT-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide (CID 71859672) is 2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide is CSCCC(C)NC(=O)N1CCSC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide?
The InChIKey is NYHSDBMBKWJQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS2/c1-10(5-7-16-4)13-11(15)14-6-8-17-12(2,3)9-14/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of 2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide?
2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide has a molecular weight of 276.47 g/mol, XLogP of 2.66, 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-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 71859672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).