N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide

C8H18N2O4S2 — CID 11043842

IUPACN-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O
InChIInChI=1S/C8H18N2O4S2/c1-15(11,12)9-7-5-3-4-6-8(7)10-16(2,13)14/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyJUWLQVLCYRNWSV-HTQZYQBOSA-N
MW270.38 g/mol
LogP-0.60
Rot. Bonds4

About N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide

N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide (PubChem CID 11043842) has the molecular formula C8H18N2O4S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide
PubChem CID11043842
Molecular FormulaC8H18N2O4S2
Molecular Weight270.38 g/mol
Exact Mass270.07
IUPAC NameN-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O
InChIInChI=1S/C8H18N2O4S2/c1-15(11,12)9-7-5-3-4-6-8(7)10-16(2,13)14/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyJUWLQVLCYRNWSV-HTQZYQBOSA-N
XLogP-0.60
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide
CID 58431850
N-[(1R,2S)-2-fluorocyclopentyl]methanesulfonamide
CID 130766267
N-cycloheptylmethanesulfonamide
CID 3113423
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 99777745
N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]methanesulfonamide
CID 155770206
N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide
CID 89002805
N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene
CID 87832613
N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide
CID 140580794
N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene
CID 87833603
N-[2-[1-(1-methyltetrazol-5-yl)ethylamino]cyclohexyl]methanesulfonamide
CID 154757462
N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide
CID 99778329

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide?
The IUPAC name of N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide (CID 11043842) is N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide?
The InChIKey is JUWLQVLCYRNWSV-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18N2O4S2/c1-15(11,12)9-7-5-3-4-6-8(7)10-16(2,13)14/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide?
N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide has a molecular weight of 270.38 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 11043842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).