3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine

C14H22N2OS — CID 114121331

IUPAC3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine
SMILESCCSC1CCCC1Nc1cc(N)cc(OC)c1
InChIInChI=1S/C14H22N2OS/c1-3-18-14-6-4-5-13(14)16-11-7-10(15)8-12(9-11)17-2/h7-9,13-14,16H,3-6,15H2,1-2H3
InChIKeyMZOJOZUBVCEBJZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.36
Rot. Bonds5

About 3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine

3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine (PubChem CID 114121331) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine
PubChem CID114121331
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine
SMILESCCSC1CCCC1Nc1cc(N)cc(OC)c1
InChIInChI=1S/C14H22N2OS/c1-3-18-14-6-4-5-13(14)16-11-7-10(15)8-12(9-11)17-2/h7-9,13-14,16H,3-6,15H2,1-2H3
InChIKeyMZOJOZUBVCEBJZ-UHFFFAOYSA-N
XLogP3.36
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine (CID 114121331) is 3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine is CCSC1CCCC1Nc1cc(N)cc(OC)c1.
What is the InChIKey of 3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine?
The InChIKey is MZOJOZUBVCEBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-18-14-6-4-5-13(14)16-11-7-10(15)8-12(9-11)17-2/h7-9,13-14,16H,3-6,15H2,1-2H3.
What are the key properties of 3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine?
3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine has a molecular weight of 266.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine is sourced from PubChem (CID 114121331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).