N-cyclohexyl-N-methylsulfonylmethanesulfonamide

C8H17NO4S2 — CID 70184779

IUPACN-cyclohexyl-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C8H17NO4S2/c1-14(10,11)9(15(2,12)13)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyVLHCGXVSKUGULC-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.54
Rot. Bonds3

About N-cyclohexyl-N-methylsulfonylmethanesulfonamide

N-cyclohexyl-N-methylsulfonylmethanesulfonamide (PubChem CID 70184779) has the molecular formula C8H17NO4S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-cyclohexyl-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methylsulfonylmethanesulfonamide
PubChem CID70184779
Molecular FormulaC8H17NO4S2
Molecular Weight255.36 g/mol
Exact Mass255.06
IUPAC NameN-cyclohexyl-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C8H17NO4S2/c1-14(10,11)9(15(2,12)13)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyVLHCGXVSKUGULC-UHFFFAOYSA-N
XLogP0.54
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Methylsulfonyl){4-[(methylsulfonyl)amino]cyclohexyl}amine
CID 1530175
N-methyl-N-[4-[methyl(methylsulfonyl)amino]cyclohexyl]methanesulfonamide
CID 76325298
N-cyclohexyl-N-ethylmethanesulfonamide
CID 799015
N-cyclohexyl-N-methylmethanesulfonamide
CID 706834
N-hexyl-N-methylsulfonylmethanesulfonamide
CID 12386224
N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]disulfanyl]methanesulfonamide
CID 20481793
N-cyclohexyl-N-[cyclohexyl(methylsulfonyl)amino]sulfanylmethanesulfonamide
CID 21404319
N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide
CID 21436538
[Cyclohexyl(methylsulfonyl)amino] thiohypochlorite
CID 21521272
N-cyclohexyl-N-isocyanatosulfonylmethanesulfonamide
CID 54473027
N-cyclohexyl-N-propan-2-ylmethanesulfonamide
CID 69703232
N-methylsulfonyl-N-pentadecan-8-ylmethanesulfonamide
CID 134174551

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-cyclohexyl-N-methylsulfonylmethanesulfonamide (CID 70184779) is N-cyclohexyl-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-cyclohexyl-N-methylsulfonylmethanesulfonamide is CS(=O)(=O)N(C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-cyclohexyl-N-methylsulfonylmethanesulfonamide?
The InChIKey is VLHCGXVSKUGULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S2/c1-14(10,11)9(15(2,12)13)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methylsulfonylmethanesulfonamide?
N-cyclohexyl-N-methylsulfonylmethanesulfonamide has a molecular weight of 255.36 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 70184779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).