1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide

C13H24N2O2S — CID 106495653

IUPAC1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(SCC2CCCO2)C1
InChIInChI=1S/C13H24N2O2S/c1-15-13(12(14)16)6-2-5-11(8-13)18-9-10-4-3-7-17-10/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyWTFSUUMQEQSJCW-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.28
Rot. Bonds5

About 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide

1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide (PubChem CID 106495653) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
PubChem CID106495653
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(SCC2CCCO2)C1
InChIInChI=1S/C13H24N2O2S/c1-15-13(12(14)16)6-2-5-11(8-13)18-9-10-4-3-7-17-10/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyWTFSUUMQEQSJCW-UHFFFAOYSA-N
XLogP1.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide (CID 106495653) is 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(SCC2CCCO2)C1.
What is the InChIKey of 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide?
The InChIKey is WTFSUUMQEQSJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-15-13(12(14)16)6-2-5-11(8-13)18-9-10-4-3-7-17-10/h10-11,15H,2-9H2,1H3,(H2,14,16).
What are the key properties of 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide?
1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide has a molecular weight of 272.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106495653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).