(2S)-2-[(sulfamoylamino)methyl]oxane

C6H14N2O3S — CID 155367087

IUPAC(2S)-2-[(sulfamoylamino)methyl]oxane
SMILESNS(=O)(=O)NC[C@@H]1CCCCO1
InChIInChI=1S/C6H14N2O3S/c7-12(9,10)8-5-6-3-1-2-4-11-6/h6,8H,1-5H2,(H2,7,9,10)/t6-/m0/s1
InChIKeyJVGBGMGOWJGYCT-LURJTMIESA-N
MW194.26 g/mol
LogP-0.65
Rot. Bonds3

About (2S)-2-[(sulfamoylamino)methyl]oxane

(2S)-2-[(sulfamoylamino)methyl]oxane (PubChem CID 155367087) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is (2S)-2-[(sulfamoylamino)methyl]oxane.

Molecular Properties

Compound Name(2S)-2-[(sulfamoylamino)methyl]oxane
PubChem CID155367087
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name(2S)-2-[(sulfamoylamino)methyl]oxane
SMILESNS(=O)(=O)NC[C@@H]1CCCCO1
InChIInChI=1S/C6H14N2O3S/c7-12(9,10)8-5-6-3-1-2-4-11-6/h6,8H,1-5H2,(H2,7,9,10)/t6-/m0/s1
InChIKeyJVGBGMGOWJGYCT-LURJTMIESA-N
XLogP-0.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(sulfamoylamino)methyl]oxane?
The IUPAC name of (2S)-2-[(sulfamoylamino)methyl]oxane (CID 155367087) is (2S)-2-[(sulfamoylamino)methyl]oxane.
What is the SMILES notation for (2S)-2-[(sulfamoylamino)methyl]oxane?
The canonical SMILES for (2S)-2-[(sulfamoylamino)methyl]oxane is NS(=O)(=O)NC[C@@H]1CCCCO1.
What is the InChIKey of (2S)-2-[(sulfamoylamino)methyl]oxane?
The InChIKey is JVGBGMGOWJGYCT-LURJTMIESA-N. The full InChI is InChI=1S/C6H14N2O3S/c7-12(9,10)8-5-6-3-1-2-4-11-6/h6,8H,1-5H2,(H2,7,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-[(sulfamoylamino)methyl]oxane?
(2S)-2-[(sulfamoylamino)methyl]oxane has a molecular weight of 194.26 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(sulfamoylamino)methyl]oxane is sourced from PubChem (CID 155367087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).