1-hydroxy-3-(sulfamoylamino)cyclohexane

C6H14N2O3S — CID 112686057

IUPAC1-hydroxy-3-(sulfamoylamino)cyclohexane
SMILESNS(=O)(=O)NC1CCCC(O)C1
InChIInChI=1S/C6H14N2O3S/c7-12(10,11)8-5-2-1-3-6(9)4-5/h5-6,8-9H,1-4H2,(H2,7,10,11)
InChIKeyYZPCRUWAAHSHEG-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.92
Rot. Bonds2

About 1-hydroxy-3-(sulfamoylamino)cyclohexane

1-hydroxy-3-(sulfamoylamino)cyclohexane (PubChem CID 112686057) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-hydroxy-3-(sulfamoylamino)cyclohexane.

Molecular Properties

Compound Name1-hydroxy-3-(sulfamoylamino)cyclohexane
PubChem CID112686057
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name1-hydroxy-3-(sulfamoylamino)cyclohexane
SMILESNS(=O)(=O)NC1CCCC(O)C1
InChIInChI=1S/C6H14N2O3S/c7-12(10,11)8-5-2-1-3-6(9)4-5/h5-6,8-9H,1-4H2,(H2,7,10,11)
InChIKeyYZPCRUWAAHSHEG-UHFFFAOYSA-N
XLogP-0.92
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(sulfamoylamino)cyclohexane?
The IUPAC name of 1-hydroxy-3-(sulfamoylamino)cyclohexane (CID 112686057) is 1-hydroxy-3-(sulfamoylamino)cyclohexane.
What is the SMILES notation for 1-hydroxy-3-(sulfamoylamino)cyclohexane?
The canonical SMILES for 1-hydroxy-3-(sulfamoylamino)cyclohexane is NS(=O)(=O)NC1CCCC(O)C1.
What is the InChIKey of 1-hydroxy-3-(sulfamoylamino)cyclohexane?
The InChIKey is YZPCRUWAAHSHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c7-12(10,11)8-5-2-1-3-6(9)4-5/h5-6,8-9H,1-4H2,(H2,7,10,11).
What are the key properties of 1-hydroxy-3-(sulfamoylamino)cyclohexane?
1-hydroxy-3-(sulfamoylamino)cyclohexane has a molecular weight of 194.26 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(sulfamoylamino)cyclohexane is sourced from PubChem (CID 112686057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).