[[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride

C11H22Cl3NSSn — CID 70259910

IUPAC[[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride
SMILESCCSC([Sn+3])C1CCCCC1C(C)N.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C11H22NS.3ClH.Sn/c1-3-13-8-10-6-4-5-7-11(10)9(2)12;;;;/h8-11H,3-7,12H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyULUVDCMQJDQUIU-UHFFFAOYSA-K
MW425.44 g/mol
LogP-6.60
Rot. Bonds4

About [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride

[[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride (PubChem CID 70259910) has the molecular formula C11H22Cl3NSSn and a molecular weight of 425.44 g/mol. Its IUPAC name is [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride.

Molecular Properties

Compound Name[[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride
PubChem CID70259910
Molecular FormulaC11H22Cl3NSSn
Molecular Weight425.44 g/mol
Exact Mass424.96
IUPAC Name[[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride
SMILESCCSC([Sn+3])C1CCCCC1C(C)N.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C11H22NS.3ClH.Sn/c1-3-13-8-10-6-4-5-7-11(10)9(2)12;;;;/h8-11H,3-7,12H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyULUVDCMQJDQUIU-UHFFFAOYSA-K
XLogP-6.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 5-6.60
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]tin(3+) trichloride?
The IUPAC name of [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride (CID 70259910) is [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride.
What is the SMILES notation for [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride?
The canonical SMILES for [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride is CCSC([Sn+3])C1CCCCC1C(C)N.[Cl-].[Cl-].[Cl-].
What is the InChIKey of [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride?
The InChIKey is ULUVDCMQJDQUIU-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H22NS.3ClH.Sn/c1-3-13-8-10-6-4-5-7-11(10)9(2)12;;;;/h8-11H,3-7,12H2,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of [[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride?
[[2-(1-aminoethyl)cyclohexyl]-ethylsulfanylmethyl]tin(3+) trichloride has a molecular weight of 425.44 g/mol, XLogP of -6.60, 4 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]tin(3+) trichloride is sourced from PubChem (CID 70259910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).