N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine

C17H21NOS — CID 64722658

IUPACN-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H21NOS/c1-2-18-15-8-10-17(12-15)20(19)16-9-7-13-5-3-4-6-14(13)11-16/h3-7,9,11,15,17-18H,2,8,10,12H2,1H3
InChIKeyOQQSWESGWTUEJV-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.48
Rot. Bonds4

About N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine

N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine (PubChem CID 64722658) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine
PubChem CID64722658
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H21NOS/c1-2-18-15-8-10-17(12-15)20(19)16-9-7-13-5-3-4-6-14(13)11-16/h3-7,9,11,15,17-18H,2,8,10,12H2,1H3
InChIKeyOQQSWESGWTUEJV-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-2-ylsulfinylcyclopentan-1-amine
CID 64722450
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine
CID 64717359
3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64723455
N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64718244
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-propylcyclopentan-1-amine
CID 115479129
3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine
CID 64722654
3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716958
3-(4-nitrophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64722049
3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64723864
3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine
CID 103702398
3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine
CID 64722834
N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79577184

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine (CID 64722658) is N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine is CCNC1CCC(S(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine?
The InChIKey is OQQSWESGWTUEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-18-15-8-10-17(12-15)20(19)16-9-7-13-5-3-4-6-14(13)11-16/h3-7,9,11,15,17-18H,2,8,10,12H2,1H3.
What are the key properties of N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine?
N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine is sourced from PubChem (CID 64722658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).