[[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin

C11H22ClNSSn — CID 70259913

IUPAC[[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin
SMILESCCSC([Sn]Cl)C1CCCCC1C(C)N
InChIInChI=1S/C11H22NS.ClH.Sn/c1-3-13-8-10-6-4-5-7-11(10)9(2)12;;/h8-11H,3-7,12H2,1-2H3;1H;/q;;+1/p-1
InChIKeyUPUIDSFYAHLKJK-UHFFFAOYSA-M
MW354.54 g/mol
LogP3.08
Rot. Bonds5

About [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin

[[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin (PubChem CID 70259913) has the molecular formula C11H22ClNSSn and a molecular weight of 354.54 g/mol. Its IUPAC name is [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin.

Molecular Properties

Compound Name[[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin
PubChem CID70259913
Molecular FormulaC11H22ClNSSn
Molecular Weight354.54 g/mol
Exact Mass355.02
IUPAC Name[[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin
SMILESCCSC([Sn]Cl)C1CCCCC1C(C)N
InChIInChI=1S/C11H22NS.ClH.Sn/c1-3-13-8-10-6-4-5-7-11(10)9(2)12;;/h8-11H,3-7,12H2,1-2H3;1H;/q;;+1/p-1
InChIKeyUPUIDSFYAHLKJK-UHFFFAOYSA-M
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin?
The IUPAC name of [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin (CID 70259913) is [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin.
What is the SMILES notation for [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin?
The canonical SMILES for [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin is CCSC([Sn]Cl)C1CCCCC1C(C)N.
What is the InChIKey of [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin?
The InChIKey is UPUIDSFYAHLKJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22NS.ClH.Sn/c1-3-13-8-10-6-4-5-7-11(10)9(2)12;;/h8-11H,3-7,12H2,1-2H3;1H;/q;;+1/p-1.
What are the key properties of [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin?
[[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin has a molecular weight of 354.54 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]-chlorotin is sourced from PubChem (CID 70259913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).