N-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid

C7H18N2O6S — CID 52997124

IUPACN-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid
SMILESC[C@]1(NO)CCCC[C@H]1NO.O=S(=O)(O)O
InChIInChI=1S/C7H16N2O2.H2O4S/c1-7(9-11)5-3-2-4-6(7)8-10;1-5(2,3)4/h6,8-11H,2-5H2,1H3;(H2,1,2,3,4)/t6-,7+;/m1./s1
InChIKeySLRXSHAYHXGEGD-HHQFNNIRSA-N
MW258.30 g/mol
LogP-0.01
Rot. Bonds2

About N-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid

N-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid (PubChem CID 52997124) has the molecular formula C7H18N2O6S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid.

Molecular Properties

Compound NameN-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid
PubChem CID52997124
Molecular FormulaC7H18N2O6S
Molecular Weight258.30 g/mol
Exact Mass258.09
IUPAC NameN-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid
SMILESC[C@]1(NO)CCCC[C@H]1NO.O=S(=O)(O)O
InChIInChI=1S/C7H16N2O2.H2O4S/c1-7(9-11)5-3-2-4-6(7)8-10;1-5(2,3)4/h6,8-11H,2-5H2,1H3;(H2,1,2,3,4)/t6-,7+;/m1./s1
InChIKeySLRXSHAYHXGEGD-HHQFNNIRSA-N
XLogP-0.01
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid?
The IUPAC name of N-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid (CID 52997124) is N-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid.
What is the SMILES notation for N-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid?
The canonical SMILES for N-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid is C[C@]1(NO)CCCC[C@H]1NO.O=S(=O)(O)O.
What is the InChIKey of N-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid?
The InChIKey is SLRXSHAYHXGEGD-HHQFNNIRSA-N. The full InChI is InChI=1S/C7H16N2O2.H2O4S/c1-7(9-11)5-3-2-4-6(7)8-10;1-5(2,3)4/h6,8-11H,2-5H2,1H3;(H2,1,2,3,4)/t6-,7+;/m1./s1.
What are the key properties of N-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid?
N-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid has a molecular weight of 258.30 g/mol, XLogP of -0.01, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(hydroxyamino)-1-methylcyclohexyl]hydroxylamine;sulfuric acid is sourced from PubChem (CID 52997124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).