2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine

C15H23NO2S — CID 64659136

IUPAC2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1S(=O)c1cccc(OC)c1
InChIInChI=1S/C15H23NO2S/c1-3-10-16-14-8-5-9-15(14)19(17)13-7-4-6-12(11-13)18-2/h4,6-7,11,14-16H,3,5,8-10H2,1-2H3
InChIKeyAJBGUFHVXFCPII-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.72
Rot. Bonds6

About 2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine

2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine (PubChem CID 64659136) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine
PubChem CID64659136
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1S(=O)c1cccc(OC)c1
InChIInChI=1S/C15H23NO2S/c1-3-10-16-14-8-5-9-15(14)19(17)13-7-4-6-12(11-13)18-2/h4,6-7,11,14-16H,3,5,8-10H2,1-2H3
InChIKeyAJBGUFHVXFCPII-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine
CID 64651573
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64619129
3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64658377
2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
CID 62111265
1-(cyclopentylmethylsulfinyl)-3-methoxybenzene
CID 75515923
N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine
CID 64659518
2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64660130
2-ethylsulfinyl-N-propylcyclopentan-1-amine
CID 64652953
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclopentan-1-amine
CID 64653023
2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
CID 64651180

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine (CID 64659136) is 2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine is CCCNC1CCCC1S(=O)c1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine?
The InChIKey is AJBGUFHVXFCPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-10-16-14-8-5-9-15(14)19(17)13-7-4-6-12(11-13)18-2/h4,6-7,11,14-16H,3,5,8-10H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine?
2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64659136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).