N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide

C10H22N2O4S2 — CID 82843297

IUPACN-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1CCCCC1CN
InChIInChI=1S/C10H22N2O4S2/c1-17(13,14)8-18(15,16)12-7-10-5-3-2-4-9(10)6-11/h9-10,12H,2-8,11H2,1H3
InChIKeyCDBTWQPDMFZJAW-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.33
Rot. Bonds6

About N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide

N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 82843297) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide
PubChem CID82843297
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC NameN-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1CCCCC1CN
InChIInChI=1S/C10H22N2O4S2/c1-17(13,14)8-18(15,16)12-7-10-5-3-2-4-9(10)6-11/h9-10,12H,2-8,11H2,1H3
InChIKeyCDBTWQPDMFZJAW-UHFFFAOYSA-N
XLogP-0.33
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane
CID 114959618
N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82843046
N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2-methylpropan-1-amine
CID 114816751
N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 64911395
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide
CID 82842962
2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine
CID 81025425
N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 64929835
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine
CID 115752499
N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide
CID 114295370
1-[2-(aminomethyl)cyclohexyl]-3-methylsulfonylpropan-1-one
CID 116584697
2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
CID 164656075

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide (CID 82843297) is N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NCC1CCCCC1CN.
What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is CDBTWQPDMFZJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-17(13,14)8-18(15,16)12-7-10-5-3-2-4-9(10)6-11/h9-10,12H,2-8,11H2,1H3.
What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide?
N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 298.43 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82843297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).