3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine

C12H23NOS — CID 104871846

IUPAC3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine
SMILESCCSC1CCC(NC2CC(OC)C2)C1
InChIInChI=1S/C12H23NOS/c1-3-15-12-5-4-9(8-12)13-10-6-11(7-10)14-2/h9-13H,3-8H2,1-2H3
InChIKeyKDKOJBRMAPXLMS-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.43
Rot. Bonds5

About 3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine

3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine (PubChem CID 104871846) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine
PubChem CID104871846
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine
SMILESCCSC1CCC(NC2CC(OC)C2)C1
InChIInChI=1S/C12H23NOS/c1-3-15-12-5-4-9(8-12)13-10-6-11(7-10)14-2/h9-13H,3-8H2,1-2H3
InChIKeyKDKOJBRMAPXLMS-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine
CID 104871503
4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine
CID 114122927
ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate
CID 103926013
4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxamide
CID 103787245
N-(2-ethylsulfanylcyclopentyl)-3-methoxycyclohexan-1-amine
CID 114121380
3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
CID 102672441
N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103704832
N-(3-ethylsulfanylcyclopentyl)-3,3-dimethylpiperidin-4-amine
CID 114235583
N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine
CID 75516655
N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine
CID 115910663
1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine
CID 75428467
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine (CID 104871846) is 3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine is CCSC1CCC(NC2CC(OC)C2)C1.
What is the InChIKey of 3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine?
The InChIKey is KDKOJBRMAPXLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-3-15-12-5-4-9(8-12)13-10-6-11(7-10)14-2/h9-13H,3-8H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine?
3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine has a molecular weight of 229.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine is sourced from PubChem (CID 104871846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).