2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine

C17H26N2OS — CID 120914703

IUPAC2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine
SMILESc1ccc(SCCNC2CCCC2C2COCCN2)cc1
InChIInChI=1S/C17H26N2OS/c1-2-5-14(6-3-1)21-12-10-19-16-8-4-7-15(16)17-13-20-11-9-18-17/h1-3,5-6,15-19H,4,7-13H2
InChIKeyMABSVCCTXMJAEW-UHFFFAOYSA-N
MW306.47 g/mol
LogP2.53
Rot. Bonds6

About 2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine

2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine (PubChem CID 120914703) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine
PubChem CID120914703
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine
SMILESc1ccc(SCCNC2CCCC2C2COCCN2)cc1
InChIInChI=1S/C17H26N2OS/c1-2-5-14(6-3-1)21-12-10-19-16-8-4-7-15(16)17-13-20-11-9-18-17/h1-3,5-6,15-19H,4,7-13H2
InChIKeyMABSVCCTXMJAEW-UHFFFAOYSA-N
XLogP2.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-3-yl-N-(2-naphthalen-2-ylethyl)cyclopentan-1-amine
CID 120914609
N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915822
2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 120914007
2-morpholin-3-yl-N-[(1-phenylcyclobutyl)methyl]cyclopentan-1-amine
CID 120915057
N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913887
N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914428
2-morpholin-3-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]cyclopentan-1-amine;hydrochloride
CID 120916282
N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914249
N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914256
2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine
CID 120914113
N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915329
N-(3,3-dimethylbutyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120913877

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine?
The IUPAC name of 2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine (CID 120914703) is 2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine?
The canonical SMILES for 2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine is c1ccc(SCCNC2CCCC2C2COCCN2)cc1.
What is the InChIKey of 2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine?
The InChIKey is MABSVCCTXMJAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-5-14(6-3-1)21-12-10-19-16-8-4-7-15(16)17-13-20-11-9-18-17/h1-3,5-6,15-19H,4,7-13H2.
What are the key properties of 2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine?
2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine has a molecular weight of 306.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine is sourced from PubChem (CID 120914703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).