1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane

C10H23N3O2S — CID 103970353

IUPAC1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane
SMILESCN(C)S(=O)(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C10H23N3O2S/c1-13(2)16(14,15)12-9-10(8-11)6-4-3-5-7-10/h12H,3-9,11H2,1-2H3
InChIKeyKFQOYVDBZMHTRR-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.29
Rot. Bonds5

About 1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane

1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane (PubChem CID 103970353) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane
PubChem CID103970353
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane
SMILESCN(C)S(=O)(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C10H23N3O2S/c1-13(2)16(14,15)12-9-10(8-11)6-4-3-5-7-10/h12H,3-9,11H2,1-2H3
InChIKeyKFQOYVDBZMHTRR-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Spiroplatin
CID 23725025
Platinum(4+) sulfate (cyclohexane-1,1-diyl)dimethanaminide (1/1/1)
CID 9802804
N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114812939
(1-Methylcyclohexyl)methylsulfamic acid
CID 23197363
(Dimethylsulfamoylamino)methylcyclohexane
CID 35292128
1-(3,3-Dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane
CID 162101140
1-Propyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 10014280
N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 54952098
2-[[3-Aminopropyl(methyl)sulfamoyl]amino]ethylcyclohexane
CID 54952352
[[3-Aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane
CID 54952455
1-[[[3-Aminopropyl(methyl)sulfamoyl]amino]methyl]-4-ethylcyclohexane
CID 61862276
1-[[3-Aminopropyl(methyl)sulfamoyl]amino]-1-methylcyclohexane
CID 61871195

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane?
The IUPAC name of 1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane (CID 103970353) is 1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane is CN(C)S(=O)(=O)NCC1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane?
The InChIKey is KFQOYVDBZMHTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-13(2)16(14,15)12-9-10(8-11)6-4-3-5-7-10/h12H,3-9,11H2,1-2H3.
What are the key properties of 1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane?
1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane has a molecular weight of 249.38 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-[(dimethylsulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 103970353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).