N-(oxan-4-yl)methanesulfonamide;hydrochloride

C6H14ClNO3S — CID 135331308

IUPACN-(oxan-4-yl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCOCC1.Cl
InChIInChI=1S/C6H13NO3S.ClH/c1-11(8,9)7-6-2-4-10-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeyDVWDLWCMGSLWJG-UHFFFAOYSA-N
MW215.70 g/mol
LogP0.14
Rot. Bonds2

About N-(oxan-4-yl)methanesulfonamide;hydrochloride

N-(oxan-4-yl)methanesulfonamide;hydrochloride (PubChem CID 135331308) has the molecular formula C6H14ClNO3S and a molecular weight of 215.70 g/mol. Its IUPAC name is N-(oxan-4-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(oxan-4-yl)methanesulfonamide;hydrochloride
PubChem CID135331308
Molecular FormulaC6H14ClNO3S
Molecular Weight215.70 g/mol
Exact Mass215.04
IUPAC NameN-(oxan-4-yl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCOCC1.Cl
InChIInChI=1S/C6H13NO3S.ClH/c1-11(8,9)7-6-2-4-10-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeyDVWDLWCMGSLWJG-UHFFFAOYSA-N
XLogP0.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(oxan-4-yl)methanesulfonamide;hydrochloride (CID 135331308) is N-(oxan-4-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(oxan-4-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(oxan-4-yl)methanesulfonamide;hydrochloride is CS(=O)(=O)NC1CCOCC1.Cl.
What is the InChIKey of N-(oxan-4-yl)methanesulfonamide;hydrochloride?
The InChIKey is DVWDLWCMGSLWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.ClH/c1-11(8,9)7-6-2-4-10-5-3-6;/h6-7H,2-5H2,1H3;1H.
What are the key properties of N-(oxan-4-yl)methanesulfonamide;hydrochloride?
N-(oxan-4-yl)methanesulfonamide;hydrochloride has a molecular weight of 215.70 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 135331308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).