N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide

C14H26N2OS — CID 82917563

IUPACN-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
SMILESCC1CCC(CCNC(=O)C2CSCCN2)CC1
InChIInChI=1S/C14H26N2OS/c1-11-2-4-12(5-3-11)6-7-16-14(17)13-10-18-9-8-15-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyWCLFDSLILFVTGM-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide

N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide (PubChem CID 82917563) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
PubChem CID82917563
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
SMILESCC1CCC(CCNC(=O)C2CSCCN2)CC1
InChIInChI=1S/C14H26N2OS/c1-11-2-4-12(5-3-11)6-7-16-14(17)13-10-18-9-8-15-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyWCLFDSLILFVTGM-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
CID 82905560
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
CID 82917885
2-methyl-N-[2-(4-methylcyclohexyl)ethyl]piperidine-4-carboxamide
CID 106740120
N-[2-(trifluoromethylsulfanyl)ethyl]thiomorpholine-3-carboxamide
CID 106428279
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide
CID 82908761
N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide
CID 82908667
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide (CID 82917563) is N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide is CC1CCC(CCNC(=O)C2CSCCN2)CC1.
What is the InChIKey of N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide?
The InChIKey is WCLFDSLILFVTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11-2-4-12(5-3-11)6-7-16-14(17)13-10-18-9-8-15-13/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide?
N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide has a molecular weight of 270.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82917563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).