(4-ethylsulfonylcyclohexyl)methanamine;hydrochloride

C9H20ClNO2S — CID 153296094

IUPAC(4-ethylsulfonylcyclohexyl)methanamine;hydrochloride
SMILESCCS(=O)(=O)C1CCC(CN)CC1.Cl
InChIInChI=1S/C9H19NO2S.ClH/c1-2-13(11,12)9-5-3-8(7-10)4-6-9;/h8-9H,2-7,10H2,1H3;1H
InChIKeyIAICHMBKNGZFLV-UHFFFAOYSA-N
MW241.78 g/mol
LogP1.36
Rot. Bonds3

About (4-ethylsulfonylcyclohexyl)methanamine;hydrochloride

(4-ethylsulfonylcyclohexyl)methanamine;hydrochloride (PubChem CID 153296094) has the molecular formula C9H20ClNO2S and a molecular weight of 241.78 g/mol. Its IUPAC name is (4-ethylsulfonylcyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-ethylsulfonylcyclohexyl)methanamine;hydrochloride
PubChem CID153296094
Molecular FormulaC9H20ClNO2S
Molecular Weight241.78 g/mol
Exact Mass241.09
IUPAC Name(4-ethylsulfonylcyclohexyl)methanamine;hydrochloride
SMILESCCS(=O)(=O)C1CCC(CN)CC1.Cl
InChIInChI=1S/C9H19NO2S.ClH/c1-2-13(11,12)9-5-3-8(7-10)4-6-9;/h8-9H,2-7,10H2,1H3;1H
InChIKeyIAICHMBKNGZFLV-UHFFFAOYSA-N
XLogP1.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.78
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylcyclohexyl)methanamine;hydrochloride?
The IUPAC name of (4-ethylsulfonylcyclohexyl)methanamine;hydrochloride (CID 153296094) is (4-ethylsulfonylcyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for (4-ethylsulfonylcyclohexyl)methanamine;hydrochloride?
The canonical SMILES for (4-ethylsulfonylcyclohexyl)methanamine;hydrochloride is CCS(=O)(=O)C1CCC(CN)CC1.Cl.
What is the InChIKey of (4-ethylsulfonylcyclohexyl)methanamine;hydrochloride?
The InChIKey is IAICHMBKNGZFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S.ClH/c1-2-13(11,12)9-5-3-8(7-10)4-6-9;/h8-9H,2-7,10H2,1H3;1H.
What are the key properties of (4-ethylsulfonylcyclohexyl)methanamine;hydrochloride?
(4-ethylsulfonylcyclohexyl)methanamine;hydrochloride has a molecular weight of 241.78 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylcyclohexyl)methanamine;hydrochloride is sourced from PubChem (CID 153296094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).