1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane

C8H19N3O2S — CID 28940714

IUPAC1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane
SMILESCC1CCC(CN)(NS(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O2S/c1-7-2-4-8(6-9,5-3-7)11-14(10,12)13/h7,11H,2-6,9H2,1H3,(H2,10,12,13)
InChIKeyCRBUJESKMQVWDM-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.31
Rot. Bonds3

About 1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane

1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane (PubChem CID 28940714) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane
PubChem CID28940714
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane
SMILESCC1CCC(CN)(NS(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O2S/c1-7-2-4-8(6-9,5-3-7)11-14(10,12)13/h7,11H,2-6,9H2,1H3,(H2,10,12,13)
InChIKeyCRBUJESKMQVWDM-UHFFFAOYSA-N
XLogP-0.31
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803364
1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803369
4-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
CID 17946855
1-Amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 22000435
N'-[4-(aminomethyl)cyclohexyl]methyl-N,N-dimethylsulfamide
CID 22254077
1-(Dimethylsulfamoylamino)-4-methylcyclohexane
CID 23381127
1-(Aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
N-[(1-aminocyclohexyl)methyl]methanesulfonamide
CID 43598238
N-(4-methylcyclohexyl)sulfamide
CID 68545910
1-(Aminomethyl)-4-[(sulfinatoamino)methyl]cyclohexane
CID 69158753

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane?
The IUPAC name of 1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane (CID 28940714) is 1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane?
The canonical SMILES for 1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane is CC1CCC(CN)(NS(N)(=O)=O)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane?
The InChIKey is CRBUJESKMQVWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-7-2-4-8(6-9,5-3-7)11-14(10,12)13/h7,11H,2-6,9H2,1H3,(H2,10,12,13).
What are the key properties of 1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane?
1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane has a molecular weight of 221.33 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane is sourced from PubChem (CID 28940714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).