6-methylsulfonylazepan-4-ol

C7H15NO3S — CID 170622342

IUPAC6-methylsulfonylazepan-4-ol
SMILESCS(=O)(=O)C1CNCCC(O)C1
InChIInChI=1S/C7H15NO3S/c1-12(10,11)7-4-6(9)2-3-8-5-7/h6-9H,2-5H2,1H3
InChIKeyKFCCLNDIDVTMQM-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.86
Rot. Bonds1

About 6-methylsulfonylazepan-4-ol

6-methylsulfonylazepan-4-ol (PubChem CID 170622342) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 6-methylsulfonylazepan-4-ol.

Molecular Properties

Compound Name6-methylsulfonylazepan-4-ol
PubChem CID170622342
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name6-methylsulfonylazepan-4-ol
SMILESCS(=O)(=O)C1CNCCC(O)C1
InChIInChI=1S/C7H15NO3S/c1-12(10,11)7-4-6(9)2-3-8-5-7/h6-9H,2-5H2,1H3
InChIKeyKFCCLNDIDVTMQM-UHFFFAOYSA-N
XLogP-0.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonylazepan-4-ol?
The IUPAC name of 6-methylsulfonylazepan-4-ol (CID 170622342) is 6-methylsulfonylazepan-4-ol.
What is the SMILES notation for 6-methylsulfonylazepan-4-ol?
The canonical SMILES for 6-methylsulfonylazepan-4-ol is CS(=O)(=O)C1CNCCC(O)C1.
What is the InChIKey of 6-methylsulfonylazepan-4-ol?
The InChIKey is KFCCLNDIDVTMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-12(10,11)7-4-6(9)2-3-8-5-7/h6-9H,2-5H2,1H3.
What are the key properties of 6-methylsulfonylazepan-4-ol?
6-methylsulfonylazepan-4-ol has a molecular weight of 193.27 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonylazepan-4-ol is sourced from PubChem (CID 170622342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).