N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine

C14H21NOS — CID 64722463

IUPACN-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2cccc(OC)c2)C1
InChIInChI=1S/C14H21NOS/c1-3-15-11-7-8-14(9-11)17-13-6-4-5-12(10-13)16-2/h4-6,10-11,14-15H,3,7-9H2,1-2H3
InChIKeyUWBLENSEINJXLB-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.32
Rot. Bonds5

About N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine

N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine (PubChem CID 64722463) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine
PubChem CID64722463
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2cccc(OC)c2)C1
InChIInChI=1S/C14H21NOS/c1-3-15-11-7-8-14(9-11)17-13-6-4-5-12(10-13)16-2/h4-6,10-11,14-15H,3,7-9H2,1-2H3
InChIKeyUWBLENSEINJXLB-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine (CID 64722463) is N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine is CCNC1CCC(Sc2cccc(OC)c2)C1.
What is the InChIKey of N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine?
The InChIKey is UWBLENSEINJXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-15-11-7-8-14(9-11)17-13-6-4-5-12(10-13)16-2/h4-6,10-11,14-15H,3,7-9H2,1-2H3.
What are the key properties of N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine?
N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine is sourced from PubChem (CID 64722463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).