N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide

C17H24N2O2S — CID 119782639

IUPACN-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide
SMILESO=C(NCC1(Sc2ccccc2)CCCC1)C1COCCN1
InChIInChI=1S/C17H24N2O2S/c20-16(15-12-21-11-10-18-15)19-13-17(8-4-5-9-17)22-14-6-2-1-3-7-14/h1-3,6-7,15,18H,4-5,8-13H2,(H,19,20)
InChIKeyZGMAMVXMWPZSCR-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.20
Rot. Bonds5

About N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide

N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide (PubChem CID 119782639) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide
PubChem CID119782639
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide
SMILESO=C(NCC1(Sc2ccccc2)CCCC1)C1COCCN1
InChIInChI=1S/C17H24N2O2S/c20-16(15-12-21-11-10-18-15)19-13-17(8-4-5-9-17)22-14-6-2-1-3-7-14/h1-3,6-7,15,18H,4-5,8-13H2,(H,19,20)
InChIKeyZGMAMVXMWPZSCR-UHFFFAOYSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.20
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-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119820120
N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119323178
N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide
CID 119799168
1-[(morpholine-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311232
N-(2-phenylsulfanylpropyl)morpholine-3-carboxamide;hydrochloride
CID 119804403
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-3-carboxamide
CID 119731196
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119761154
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119782670
N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119323172
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide
CID 119782649

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide?
The IUPAC name of N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide (CID 119782639) is N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide is O=C(NCC1(Sc2ccccc2)CCCC1)C1COCCN1.
What is the InChIKey of N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide?
The InChIKey is ZGMAMVXMWPZSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-16(15-12-21-11-10-18-15)19-13-17(8-4-5-9-17)22-14-6-2-1-3-7-14/h1-3,6-7,15,18H,4-5,8-13H2,(H,19,20).
What are the key properties of N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide?
N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119782639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).