N-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide

C14H28N2O4S2 — CID 123807463

IUPACN-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(C2CCC(NS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C14H28N2O4S2/c1-21(17,18)15-13-7-3-11(4-8-13)12-5-9-14(10-6-12)16-22(2,19)20/h11-16H,3-10H2,1-2H3
InChIKeyYUIXOUJJIUOWIS-UHFFFAOYSA-N
MW352.52 g/mol
LogP1.20
Rot. Bonds5

About N-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide

N-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide (PubChem CID 123807463) has the molecular formula C14H28N2O4S2 and a molecular weight of 352.52 g/mol. Its IUPAC name is N-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide
PubChem CID123807463
Molecular FormulaC14H28N2O4S2
Molecular Weight352.52 g/mol
Exact Mass352.15
IUPAC NameN-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(C2CCC(NS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C14H28N2O4S2/c1-21(17,18)15-13-7-3-11(4-8-13)12-5-9-14(10-6-12)16-22(2,19)20/h11-16H,3-10H2,1-2H3
InChIKeyYUIXOUJJIUOWIS-UHFFFAOYSA-N
XLogP1.20
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methanesulfonamide, N-(4-(cyclohexylmethyl)-1-cyclohexyl)-
CID 3025226
N-(2-cyclohexylcyclopropyl)methanesulfonamide
CID 71997365
N-[4-({4-[(methylsulfonyl)amino]cyclohexyl}methyl)cyclohexyl]methanesulfonamide
CID 4692066
N-[2-(4-amino-3-methylcyclohexyl)-2-methylpropyl]methanesulfonamide
CID 18713996
N-(4-propan-2-ylcyclohexyl)methanesulfonamide
CID 20608719
N-[2-methyl-4-[[3-methyl-4-(octylsulfonylamino)cyclohexyl]methyl]cyclohexyl]octane-1-sulfonamide
CID 20789898
N-[2-[4-aminocyclohexyl]propyl] 2-propanesulfonamide
CID 22624693
N-(4-ethylcyclohexyl)methanesulfonamide
CID 22772399
N-(4-tert-butylcyclohexyl)methanesulfonamide
CID 22772448
5-Cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide
CID 57018256
5-Cyclohexyl-4-(methanesulfonamido)pentane-1-sulfonamide
CID 57233988
N-[[4-(methanesulfonamido)cyclohexyl]methyl]methanesulfonamide
CID 57747888

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide (CID 123807463) is N-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(C2CCC(NS(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide?
The InChIKey is YUIXOUJJIUOWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S2/c1-21(17,18)15-13-7-3-11(4-8-13)12-5-9-14(10-6-12)16-22(2,19)20/h11-16H,3-10H2,1-2H3.
What are the key properties of N-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide?
N-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide has a molecular weight of 352.52 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methanesulfonamido)cyclohexyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 123807463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).