trans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride

C7H16ClNO2S — CID 119031992

IUPACtrans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride
SMILESCS(=O)(=O)[C@@H]1CCCC[C@H]1N.Cl
InChIInChI=1S/C7H15NO2S.ClH/c1-11(9,10)7-5-3-2-4-6(7)8;/h6-7H,2-5,8H2,1H3;1H/t6-,7-;/m1./s1
InChIKeyIVHIXTAXUMILDJ-ZJLYAJKPSA-N
MW213.73 g/mol
LogP0.72
Rot. Bonds1

About trans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride

trans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride (PubChem CID 119031992) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is trans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride
PubChem CID119031992
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC Nametrans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride
SMILESCS(=O)(=O)[C@@H]1CCCC[C@H]1N.Cl
InChIInChI=1S/C7H15NO2S.ClH/c1-11(9,10)7-5-3-2-4-6(7)8;/h6-7H,2-5,8H2,1H3;1H/t6-,7-;/m1./s1
InChIKeyIVHIXTAXUMILDJ-ZJLYAJKPSA-N
XLogP0.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride (CID 119031992) is trans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride is CS(=O)(=O)[C@@H]1CCCC[C@H]1N.Cl.
What is the InChIKey of trans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride?
The InChIKey is IVHIXTAXUMILDJ-ZJLYAJKPSA-N. The full InChI is InChI=1S/C7H15NO2S.ClH/c1-11(9,10)7-5-3-2-4-6(7)8;/h6-7H,2-5,8H2,1H3;1H/t6-,7-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride?
trans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride has a molecular weight of 213.73 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methylsulfonylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 119031992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).