4-methylsulfonylazepane;hydrochloride

C7H16ClNO2S — CID 91663034

IUPAC4-methylsulfonylazepane;hydrochloride
SMILESCS(=O)(=O)C1CCCNCC1.Cl
InChIInChI=1S/C7H15NO2S.ClH/c1-11(9,10)7-3-2-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H
InChIKeyVKMZNHXKWIVDJQ-UHFFFAOYSA-N
MW213.73 g/mol
LogP0.59
Rot. Bonds1

About 4-methylsulfonylazepane;hydrochloride

4-methylsulfonylazepane;hydrochloride (PubChem CID 91663034) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is 4-methylsulfonylazepane;hydrochloride.

Molecular Properties

Compound Name4-methylsulfonylazepane;hydrochloride
PubChem CID91663034
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC Name4-methylsulfonylazepane;hydrochloride
SMILESCS(=O)(=O)C1CCCNCC1.Cl
InChIInChI=1S/C7H15NO2S.ClH/c1-11(9,10)7-3-2-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H
InChIKeyVKMZNHXKWIVDJQ-UHFFFAOYSA-N
XLogP0.59
TPSA46.17 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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylazepane;hydrochloride?
The IUPAC name of 4-methylsulfonylazepane;hydrochloride (CID 91663034) is 4-methylsulfonylazepane;hydrochloride.
What is the SMILES notation for 4-methylsulfonylazepane;hydrochloride?
The canonical SMILES for 4-methylsulfonylazepane;hydrochloride is CS(=O)(=O)C1CCCNCC1.Cl.
What is the InChIKey of 4-methylsulfonylazepane;hydrochloride?
The InChIKey is VKMZNHXKWIVDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S.ClH/c1-11(9,10)7-3-2-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H.
What are the key properties of 4-methylsulfonylazepane;hydrochloride?
4-methylsulfonylazepane;hydrochloride has a molecular weight of 213.73 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylazepane;hydrochloride is sourced from PubChem (CID 91663034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).