(2-ethylsulfonylcyclohexyl)methanamine;hydrochloride

C9H20ClNO2S — CID 70024764

IUPAC(2-ethylsulfonylcyclohexyl)methanamine;hydrochloride
SMILESCCS(=O)(=O)C1CCCCC1CN.Cl
InChIInChI=1S/C9H19NO2S.ClH/c1-2-13(11,12)9-6-4-3-5-8(9)7-10;/h8-9H,2-7,10H2,1H3;1H
InChIKeyKVWGGKBWWQAQTB-UHFFFAOYSA-N
MW241.78 g/mol
LogP1.36
Rot. Bonds3

About (2-ethylsulfonylcyclohexyl)methanamine;hydrochloride

(2-ethylsulfonylcyclohexyl)methanamine;hydrochloride (PubChem CID 70024764) has the molecular formula C9H20ClNO2S and a molecular weight of 241.78 g/mol. Its IUPAC name is (2-ethylsulfonylcyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-ethylsulfonylcyclohexyl)methanamine;hydrochloride
PubChem CID70024764
Molecular FormulaC9H20ClNO2S
Molecular Weight241.78 g/mol
Exact Mass241.09
IUPAC Name(2-ethylsulfonylcyclohexyl)methanamine;hydrochloride
SMILESCCS(=O)(=O)C1CCCCC1CN.Cl
InChIInChI=1S/C9H19NO2S.ClH/c1-2-13(11,12)9-6-4-3-5-8(9)7-10;/h8-9H,2-7,10H2,1H3;1H
InChIKeyKVWGGKBWWQAQTB-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 (2-ethylsulfonylcyclohexyl)methanamine;hydrochloride?
The IUPAC name of (2-ethylsulfonylcyclohexyl)methanamine;hydrochloride (CID 70024764) is (2-ethylsulfonylcyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for (2-ethylsulfonylcyclohexyl)methanamine;hydrochloride?
The canonical SMILES for (2-ethylsulfonylcyclohexyl)methanamine;hydrochloride is CCS(=O)(=O)C1CCCCC1CN.Cl.
What is the InChIKey of (2-ethylsulfonylcyclohexyl)methanamine;hydrochloride?
The InChIKey is KVWGGKBWWQAQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S.ClH/c1-2-13(11,12)9-6-4-3-5-8(9)7-10;/h8-9H,2-7,10H2,1H3;1H.
What are the key properties of (2-ethylsulfonylcyclohexyl)methanamine;hydrochloride?
(2-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 (2-ethylsulfonylcyclohexyl)methanamine;hydrochloride is sourced from PubChem (CID 70024764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).