N-cyclopentyloxy-2-phenylsulfanylethanamine

C13H19NOS — CID 83235558

IUPACN-cyclopentyloxy-2-phenylsulfanylethanamine
SMILESc1ccc(SCCNOC2CCCC2)cc1
InChIInChI=1S/C13H19NOS/c1-2-8-13(9-3-1)16-11-10-14-15-12-6-4-5-7-12/h1-3,8-9,12,14H,4-7,10-11H2
InChIKeyVEJBUMLVCAZPHP-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.24
Rot. Bonds6

About N-cyclopentyloxy-2-phenylsulfanylethanamine

N-cyclopentyloxy-2-phenylsulfanylethanamine (PubChem CID 83235558) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-cyclopentyloxy-2-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-2-phenylsulfanylethanamine
PubChem CID83235558
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-cyclopentyloxy-2-phenylsulfanylethanamine
SMILESc1ccc(SCCNOC2CCCC2)cc1
InChIInChI=1S/C13H19NOS/c1-2-8-13(9-3-1)16-11-10-14-15-12-6-4-5-7-12/h1-3,8-9,12,14H,4-7,10-11H2
InChIKeyVEJBUMLVCAZPHP-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine
CID 81392929
N-(2-phenylsulfanylethyl)-4-propylcycloheptan-1-amine
CID 65091598
N-(2-phenylsulfanylethyl)oxolan-3-amine
CID 63335095
1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
CID 60664696
trans-(1R,2R)-1-N-(2-phenylsulfanylethyl)-2-N-(thiophen-2-ylmethyl)cyclohexane-1,2-diamine
CID 118584802
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
N-[(3-chlorocyclohexyl)methyl]-2-phenylsulfanylethanamine
CID 114146454
N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide
CID 60661799
3-(2-phenylsulfanylethyl)cycloheptan-1-amine
CID 79223679
1-cyclopentyl-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea
CID 9094657
3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
CID 112554477
N'-cyclopentyloxypropane-1,3-diamine
CID 83228805

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-2-phenylsulfanylethanamine?
The IUPAC name of N-cyclopentyloxy-2-phenylsulfanylethanamine (CID 83235558) is N-cyclopentyloxy-2-phenylsulfanylethanamine.
What is the SMILES notation for N-cyclopentyloxy-2-phenylsulfanylethanamine?
The canonical SMILES for N-cyclopentyloxy-2-phenylsulfanylethanamine is c1ccc(SCCNOC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyloxy-2-phenylsulfanylethanamine?
The InChIKey is VEJBUMLVCAZPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-8-13(9-3-1)16-11-10-14-15-12-6-4-5-7-12/h1-3,8-9,12,14H,4-7,10-11H2.
What are the key properties of N-cyclopentyloxy-2-phenylsulfanylethanamine?
N-cyclopentyloxy-2-phenylsulfanylethanamine has a molecular weight of 237.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-2-phenylsulfanylethanamine is sourced from PubChem (CID 83235558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).