N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide

C18H26N2O2S — CID 119820121

IUPACN-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide
SMILESCc1ccc(SC2(CNC(=O)C3COCCN3)CCCC2)cc1
InChIInChI=1S/C18H26N2O2S/c1-14-4-6-15(7-5-14)23-18(8-2-3-9-18)13-20-17(21)16-12-22-11-10-19-16/h4-7,16,19H,2-3,8-13H2,1H3,(H,20,21)
InChIKeyIPAQWCLFGVTUFP-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.50
Rot. Bonds5

About N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide

N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide (PubChem CID 119820121) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide
PubChem CID119820121
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide
SMILESCc1ccc(SC2(CNC(=O)C3COCCN3)CCCC2)cc1
InChIInChI=1S/C18H26N2O2S/c1-14-4-6-15(7-5-14)23-18(8-2-3-9-18)13-20-17(21)16-12-22-11-10-19-16/h4-7,16,19H,2-3,8-13H2,1H3,(H,20,21)
InChIKeyIPAQWCLFGVTUFP-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide (CID 119820121) is N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide is Cc1ccc(SC2(CNC(=O)C3COCCN3)CCCC2)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide?
The InChIKey is IPAQWCLFGVTUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-14-4-6-15(7-5-14)23-18(8-2-3-9-18)13-20-17(21)16-12-22-11-10-19-16/h4-7,16,19H,2-3,8-13H2,1H3,(H,20,21).
What are the key properties of N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide?
N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119820121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).