[(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide

C8H21N3O4S2 — CID 139061143

IUPAC[(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide
SMILESCS(=O)(=O)[N-]S(C)(=O)=O.N[C@@H]1CCCC[C@H]1[NH3+]
InChIInChI=1S/C6H14N2.C2H6NO4S2/c7-5-3-1-2-4-6(5)8;1-8(4,5)3-9(2,6)7/h5-6H,1-4,7-8H2;1-2H3/q;-1/p+1/t5-,6-;/m1./s1
InChIKeyGHGMLOWLCJKUGC-KGZKBUQUSA-O
MW287.41 g/mol
LogP-1.22
Rot. Bonds2

About [(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide

[(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide (PubChem CID 139061143) has the molecular formula C8H21N3O4S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is [(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide.

Molecular Properties

Compound Name[(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide
PubChem CID139061143
Molecular FormulaC8H21N3O4S2
Molecular Weight287.41 g/mol
Exact Mass287.10
IUPAC Name[(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide
SMILESCS(=O)(=O)[N-]S(C)(=O)=O.N[C@@H]1CCCC[C@H]1[NH3+]
InChIInChI=1S/C6H14N2.C2H6NO4S2/c7-5-3-1-2-4-6(5)8;1-8(4,5)3-9(2,6)7/h5-6H,1-4,7-8H2;1-2H3/q;-1/p+1/t5-,6-;/m1./s1
InChIKeyGHGMLOWLCJKUGC-KGZKBUQUSA-O
XLogP-1.22
TPSA136.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{6-[(methylsulfonyl)amino]hexyl}methanesulfonamide
CID 1752606
(Methylsulfonyl){4-[(methylsulfonyl)amino]cyclohexyl}amine
CID 1530175
Platinum(II), (cyclohexane-1,2-diammine)bis(methanesulfanato-O-)-
CID 152704
N-((1S,2S)-2-methanesulfonamidocyclohexyl)methanesulfonamide
CID 56972046
rac-N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide
CID 69344413
rac-N-((1R,2R)-2-aminocyclohexyl)methanesulfonamide hydrochloride
CID 137832727
N,N'-((1R,2R)-cyclohexane-1,2-diyl)dimethanesulfonamide
CID 11043842
N-(4-aminocyclohexyl)methanesulfonamide
CID 18348422
1,1,1-trifluoro-N-[2-(methanesulfonamido)cyclohexyl]methanesulfonamide
CID 58173854
1,1,1-trifluoro-N-[2-(fluoromethylsulfonylamino)cyclohexyl]methanesulfonamide
CID 89722364
(Ethylsulfonyl){4-[(ethylsulfonyl)amino]cyclohexyl}amine
CID 3575827
(1R,2R)-1,2-N,N'-bis[(methane-sulfonyl)amino]-cyclohexane
CID 14273014

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide?
The IUPAC name of [(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide (CID 139061143) is [(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide.
What is the SMILES notation for [(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide?
The canonical SMILES for [(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide is CS(=O)(=O)[N-]S(C)(=O)=O.N[C@@H]1CCCC[C@H]1[NH3+].
What is the InChIKey of [(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide?
The InChIKey is GHGMLOWLCJKUGC-KGZKBUQUSA-O. The full InChI is InChI=1S/C6H14N2.C2H6NO4S2/c7-5-3-1-2-4-6(5)8;1-8(4,5)3-9(2,6)7/h5-6H,1-4,7-8H2;1-2H3/q;-1/p+1/t5-,6-;/m1./s1.
What are the key properties of [(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide?
[(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide has a molecular weight of 287.41 g/mol, XLogP of -1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-aminocyclohexyl]azanium;bis(methylsulfonyl)azanide is sourced from PubChem (CID 139061143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).