N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide

C11H20N2O2S — CID 47469304

IUPACN-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)CSC)CC1
InChIInChI=1S/C11H20N2O2S/c1-12-11(15)8-3-5-9(6-4-8)13-10(14)7-16-2/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyLUKOKVRYIWNVKA-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.77
Rot. Bonds4

About N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide

N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide (PubChem CID 47469304) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide
PubChem CID47469304
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)CSC)CC1
InChIInChI=1S/C11H20N2O2S/c1-12-11(15)8-3-5-9(6-4-8)13-10(14)7-16-2/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyLUKOKVRYIWNVKA-UHFFFAOYSA-N
XLogP0.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide (CID 47469304) is N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide is CNC(=O)C1CCC(NC(=O)CSC)CC1.
What is the InChIKey of N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide?
The InChIKey is LUKOKVRYIWNVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-12-11(15)8-3-5-9(6-4-8)13-10(14)7-16-2/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide?
N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 47469304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).