1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride

C8H18ClNO3S — CID 146279083

IUPAC1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride
SMILESCS(=O)(=O)C1CCC(O)(CN)CC1.Cl
InChIInChI=1S/C8H17NO3S.ClH/c1-13(11,12)7-2-4-8(10,6-9)5-3-7;/h7,10H,2-6,9H2,1H3;1H
InChIKeyRCJPPGUWBOCOJI-UHFFFAOYSA-N
MW243.76 g/mol
LogP0.09
Rot. Bonds2

About 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride

1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride (PubChem CID 146279083) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride
PubChem CID146279083
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC Name1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride
SMILESCS(=O)(=O)C1CCC(O)(CN)CC1.Cl
InChIInChI=1S/C8H17NO3S.ClH/c1-13(11,12)7-2-4-8(10,6-9)5-3-7;/h7,10H,2-6,9H2,1H3;1H
InChIKeyRCJPPGUWBOCOJI-UHFFFAOYSA-N
XLogP0.09
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride (CID 146279083) is 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride is CS(=O)(=O)C1CCC(O)(CN)CC1.Cl.
What is the InChIKey of 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride?
The InChIKey is RCJPPGUWBOCOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S.ClH/c1-13(11,12)7-2-4-8(10,6-9)5-3-7;/h7,10H,2-6,9H2,1H3;1H.
What are the key properties of 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride?
1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride has a molecular weight of 243.76 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 146279083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).