(1-methylsulfonylcyclohexyl)methanamine;hydrochloride

C8H18ClNO2S — CID 122156705

IUPAC(1-methylsulfonylcyclohexyl)methanamine;hydrochloride
SMILESCS(=O)(=O)C1(CN)CCCCC1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-12(10,11)8(7-9)5-3-2-4-6-8;/h2-7,9H2,1H3;1H
InChIKeyXHFUCLSSEGHTGQ-UHFFFAOYSA-N
MW227.76 g/mol
LogP1.11
Rot. Bonds2

About (1-methylsulfonylcyclohexyl)methanamine;hydrochloride

(1-methylsulfonylcyclohexyl)methanamine;hydrochloride (PubChem CID 122156705) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is (1-methylsulfonylcyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-methylsulfonylcyclohexyl)methanamine;hydrochloride
PubChem CID122156705
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC Name(1-methylsulfonylcyclohexyl)methanamine;hydrochloride
SMILESCS(=O)(=O)C1(CN)CCCCC1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-12(10,11)8(7-9)5-3-2-4-6-8;/h2-7,9H2,1H3;1H
InChIKeyXHFUCLSSEGHTGQ-UHFFFAOYSA-N
XLogP1.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylcyclohexyl)methanamine;hydrochloride?
The IUPAC name of (1-methylsulfonylcyclohexyl)methanamine;hydrochloride (CID 122156705) is (1-methylsulfonylcyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for (1-methylsulfonylcyclohexyl)methanamine;hydrochloride?
The canonical SMILES for (1-methylsulfonylcyclohexyl)methanamine;hydrochloride is CS(=O)(=O)C1(CN)CCCCC1.Cl.
What is the InChIKey of (1-methylsulfonylcyclohexyl)methanamine;hydrochloride?
The InChIKey is XHFUCLSSEGHTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.ClH/c1-12(10,11)8(7-9)5-3-2-4-6-8;/h2-7,9H2,1H3;1H.
What are the key properties of (1-methylsulfonylcyclohexyl)methanamine;hydrochloride?
(1-methylsulfonylcyclohexyl)methanamine;hydrochloride has a molecular weight of 227.76 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylcyclohexyl)methanamine;hydrochloride is sourced from PubChem (CID 122156705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).