trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane

C13H26N2O3S — CID 94415076

IUPACtrans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H26N2O3S/c1-15(11-7-3-2-4-8-11)19(17,18)14-12-9-5-6-10-13(12)16/h11-14,16H,2-10H2,1H3/t12-,13-/m0/s1
InChIKeyQIZXZDFBSPNAIB-STQMWFEESA-N
MW290.43 g/mol
LogP1.39
Rot. Bonds4

About trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane

trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane (PubChem CID 94415076) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane
PubChem CID94415076
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Nametrans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H26N2O3S/c1-15(11-7-3-2-4-8-11)19(17,18)14-12-9-5-6-10-13(12)16/h11-14,16H,2-10H2,1H3/t12-,13-/m0/s1
InChIKeyQIZXZDFBSPNAIB-STQMWFEESA-N
XLogP1.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride
CID 119985441
(1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid
CID 166267249
2-(methylsulfamoylamino)cycloheptan-1-ol
CID 114809764
3-[[cyclohexyl(methyl)sulfamoyl]amino]pyrrolidine;hydrochloride
CID 119966758
[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane
CID 103931305
[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane
CID 61247247
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
CID 107858977
methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343368
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]acetamide
CID 47157246
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 113282568
[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 107319547
1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]methanesulfonamide
CID 104953228

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane?
The IUPAC name of trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane (CID 94415076) is trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane.
What is the SMILES notation for trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane?
The canonical SMILES for trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane is CN(C1CCCCC1)S(=O)(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane?
The InChIKey is QIZXZDFBSPNAIB-STQMWFEESA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-15(11-7-3-2-4-8-11)19(17,18)14-12-9-5-6-10-13(12)16/h11-14,16H,2-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane?
trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane has a molecular weight of 290.43 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane is sourced from PubChem (CID 94415076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).