1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide

C9H18N2OS — CID 79634172

IUPAC1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(SC)C1
InChIInChI=1S/C9H18N2OS/c1-11-9(8(10)12)5-3-4-7(6-9)13-2/h7,11H,3-6H2,1-2H3,(H2,10,12)
InChIKeyJNCHNNIMCVIWFX-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.74
Rot. Bonds3

About 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide

1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide (PubChem CID 79634172) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide
PubChem CID79634172
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(SC)C1
InChIInChI=1S/C9H18N2OS/c1-11-9(8(10)12)5-3-4-7(6-9)13-2/h7,11H,3-6H2,1-2H3,(H2,10,12)
InChIKeyJNCHNNIMCVIWFX-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide (CID 79634172) is 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(SC)C1.
What is the InChIKey of 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide?
The InChIKey is JNCHNNIMCVIWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-11-9(8(10)12)5-3-4-7(6-9)13-2/h7,11H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide?
1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide has a molecular weight of 202.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide is sourced from PubChem (CID 79634172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).