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

C18H27ClN2O2S — CID 119820120

IUPACN-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(SC2(CNC(=O)C3COCCN3)CCCC2)cc1.Cl
InChIInChI=1S/C18H26N2O2S.ClH/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);1H
InChIKeyWCSKGQKRWXMZBC-UHFFFAOYSA-N
MW370.95 g/mol
LogP2.93
Rot. Bonds5

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

N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119820120) has the molecular formula C18H27ClN2O2S and a molecular weight of 370.95 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119820120
Molecular FormulaC18H27ClN2O2S
Molecular Weight370.95 g/mol
Exact Mass370.15
IUPAC NameN-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(SC2(CNC(=O)C3COCCN3)CCCC2)cc1.Cl
InChIInChI=1S/C18H26N2O2S.ClH/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);1H
InChIKeyWCSKGQKRWXMZBC-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.95
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide
CID 119820121
N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide
CID 119782639
N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119323178
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119761154
N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119822123
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119812094
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-3-carboxamide
CID 119731196
4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119820136
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119820354
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride
CID 119866459
3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide
CID 120502289
1-[(morpholine-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311232

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride (CID 119820120) is N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride is Cc1ccc(SC2(CNC(=O)C3COCCN3)CCCC2)cc1.Cl.
What is the InChIKey of N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is WCSKGQKRWXMZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S.ClH/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);1H.
What are the key properties of N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride?
N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 370.95 g/mol, XLogP of 2.93, 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;hydrochloride is sourced from PubChem (CID 119820120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).