N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide

C18H26N2O2S — CID 111422860

IUPACN-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide
SMILESCc1ccc(C2CSCCN2C(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C18H26N2O2S/c1-13-2-4-14(5-3-13)17-12-23-11-10-20(17)18(22)19-15-6-8-16(21)9-7-15/h2-5,15-17,21H,6-12H2,1H3,(H,19,22)
InChIKeyWRNRHOXWTYAVFA-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.10
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide

N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide (PubChem CID 111422860) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide
PubChem CID111422860
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide
SMILESCc1ccc(C2CSCCN2C(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C18H26N2O2S/c1-13-2-4-14(5-3-13)17-12-23-11-10-20(17)18(22)19-15-6-8-16(21)9-7-15/h2-5,15-17,21H,6-12H2,1H3,(H,19,22)
InChIKeyWRNRHOXWTYAVFA-UHFFFAOYSA-N
XLogP3.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide (CID 111422860) is N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide is Cc1ccc(C2CSCCN2C(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide?
The InChIKey is WRNRHOXWTYAVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-13-2-4-14(5-3-13)17-12-23-11-10-20(17)18(22)19-15-6-8-16(21)9-7-15/h2-5,15-17,21H,6-12H2,1H3,(H,19,22).
What are the key properties of N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide?
N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 111422860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).