N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine

C14H27NO2S2 — CID 75516655

IUPACN-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine
SMILESCCSC1CCC(NC2CCCCC2S(C)(=O)=O)C1
InChIInChI=1S/C14H27NO2S2/c1-3-18-12-9-8-11(10-12)15-13-6-4-5-7-14(13)19(2,16)17/h11-15H,3-10H2,1-2H3
InChIKeyHFULYPPGIHIJNA-UHFFFAOYSA-N
MW305.51 g/mol
LogP2.61
Rot. Bonds5

About N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine

N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine (PubChem CID 75516655) has the molecular formula C14H27NO2S2 and a molecular weight of 305.51 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine
PubChem CID75516655
Molecular FormulaC14H27NO2S2
Molecular Weight305.51 g/mol
Exact Mass305.15
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine
SMILESCCSC1CCC(NC2CCCCC2S(C)(=O)=O)C1
InChIInChI=1S/C14H27NO2S2/c1-3-18-12-9-8-11(10-12)15-13-6-4-5-7-14(13)19(2,16)17/h11-15H,3-10H2,1-2H3
InChIKeyHFULYPPGIHIJNA-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine (CID 75516655) is N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine is CCSC1CCC(NC2CCCCC2S(C)(=O)=O)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine?
The InChIKey is HFULYPPGIHIJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S2/c1-3-18-12-9-8-11(10-12)15-13-6-4-5-7-14(13)19(2,16)17/h11-15H,3-10H2,1-2H3.
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine?
N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine has a molecular weight of 305.51 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 75516655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).