N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide

C12H22N2OS — CID 82905560

IUPACN-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
SMILESCC1CCC(NC(=O)C2CSCCN2)CC1
InChIInChI=1S/C12H22N2OS/c1-9-2-4-10(5-3-9)14-12(15)11-8-16-7-6-13-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyDYYHGQGJOVOIAL-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.39
Rot. Bonds2

About N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide

N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide (PubChem CID 82905560) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
PubChem CID82905560
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
SMILESCC1CCC(NC(=O)C2CSCCN2)CC1
InChIInChI=1S/C12H22N2OS/c1-9-2-4-10(5-3-9)14-12(15)11-8-16-7-6-13-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyDYYHGQGJOVOIAL-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
N-(3,3-dimethylcyclopentyl)thiomorpholine-3-carboxamide
CID 114546363
4-methyl-N-(thiolan-3-yl)piperidine-2-carboxamide
CID 103063009
N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
CID 82917563
2-(thiomorpholine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 82916150
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026
N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide
CID 82908761
N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide
CID 114096106
N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide
CID 82908203
thiomorpholine-3-carbohydrazide
CID 14045872
N-(2-adamantyl)thiomorpholine-3-carboxamide
CID 82909198
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide
CID 82905681

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide (CID 82905560) is N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide is CC1CCC(NC(=O)C2CSCCN2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide?
The InChIKey is DYYHGQGJOVOIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9-2-4-10(5-3-9)14-12(15)11-8-16-7-6-13-11/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide?
N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82905560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).