N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine

C13H19NO3S — CID 15528492

IUPACN-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine
SMILESCN(O)[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-14(15)12-9-5-6-10-13(12)18(16,17)11-7-3-2-4-8-11/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1
InChIKeyYVXPWSVSGWKMAT-STQMWFEESA-N
MW269.37 g/mol
LogP2.09
Rot. Bonds3

About N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine

N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine (PubChem CID 15528492) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine
PubChem CID15528492
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine
SMILESCN(O)[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-14(15)12-9-5-6-10-13(12)18(16,17)11-7-3-2-4-8-11/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1
InChIKeyYVXPWSVSGWKMAT-STQMWFEESA-N
XLogP2.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
CID 102011157
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
2-(benzenesulfonyl)cyclohexan-1-amine
CID 62918222
(2-methylcyclopentyl)sulfonylbenzene
CID 14669547
[(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene
CID 102011158
2-(benzenesulfonyl)cycloheptan-1-amine
CID 62916688
2-(benzenesulfonyl)cyclohexane-1-carbonitrile
CID 64690352
[2-(chloromethyl)cyclohexyl]sulfonylbenzene
CID 67997252
[2-(benzenesulfonyl)cycloheptyl]methanamine
CID 64698780
(1R,2R,5R)-2-(benzenesulfonyl)-5-methylcyclohexan-1-ol
CID 164781537
(2S,3R)-3-(benzenesulfonyl)-2-phenyloxane
CID 102080205

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine?
The IUPAC name of N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine (CID 15528492) is N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine is CN(O)[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine?
The InChIKey is YVXPWSVSGWKMAT-STQMWFEESA-N. The full InChI is InChI=1S/C13H19NO3S/c1-14(15)12-9-5-6-10-13(12)18(16,17)11-7-3-2-4-8-11/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine?
N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine has a molecular weight of 269.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine is sourced from PubChem (CID 15528492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).