[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride

C7H17ClN2O3S — CID 169220630

IUPAC[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride
SMILESCS(=O)(=O)NC[C@@H]1CC[C@@H]([NH3+])CO1.[Cl-]
InChIInChI=1S/C7H16N2O3S.ClH/c1-13(10,11)9-4-7-3-2-6(8)5-12-7;/h6-7,9H,2-5,8H2,1H3;1H/t6-,7+;/m1./s1
InChIKeyKVLXFLTXPXXPBU-HHQFNNIRSA-N
MW244.74 g/mol
LogP-4.67
Rot. Bonds3

About [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride

[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride (PubChem CID 169220630) has the molecular formula C7H17ClN2O3S and a molecular weight of 244.74 g/mol. Its IUPAC name is [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride.

Molecular Properties

Compound Name[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride
PubChem CID169220630
Molecular FormulaC7H17ClN2O3S
Molecular Weight244.74 g/mol
Exact Mass244.06
IUPAC Name[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride
SMILESCS(=O)(=O)NC[C@@H]1CC[C@@H]([NH3+])CO1.[Cl-]
InChIInChI=1S/C7H16N2O3S.ClH/c1-13(10,11)9-4-7-3-2-6(8)5-12-7;/h6-7,9H,2-5,8H2,1H3;1H/t6-,7+;/m1./s1
InChIKeyKVLXFLTXPXXPBU-HHQFNNIRSA-N
XLogP-4.67
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 5-4.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride?
The IUPAC name of [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride (CID 169220630) is [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride.
What is the SMILES notation for [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride?
The canonical SMILES for [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride is CS(=O)(=O)NC[C@@H]1CC[C@@H]([NH3+])CO1.[Cl-].
What is the InChIKey of [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride?
The InChIKey is KVLXFLTXPXXPBU-HHQFNNIRSA-N. The full InChI is InChI=1S/C7H16N2O3S.ClH/c1-13(10,11)9-4-7-3-2-6(8)5-12-7;/h6-7,9H,2-5,8H2,1H3;1H/t6-,7+;/m1./s1.
What are the key properties of [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride?
[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride has a molecular weight of 244.74 g/mol, XLogP of -4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride is sourced from PubChem (CID 169220630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).