1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane

C8H19N3O2S — CID 114959618

IUPAC1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane
SMILESNCC1CCCCC1CNS(N)(=O)=O
InChIInChI=1S/C8H19N3O2S/c9-5-7-3-1-2-4-8(7)6-11-14(10,12)13/h7-8,11H,1-6,9H2,(H2,10,12,13)
InChIKeyLMDVQICPXVFFGQ-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.46
Rot. Bonds4

About 1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane

1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane (PubChem CID 114959618) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane
PubChem CID114959618
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane
SMILESNCC1CCCCC1CNS(N)(=O)=O
InChIInChI=1S/C8H19N3O2S/c9-5-7-3-1-2-4-8(7)6-11-14(10,12)13/h7-8,11H,1-6,9H2,(H2,10,12,13)
InChIKeyLMDVQICPXVFFGQ-UHFFFAOYSA-N
XLogP-0.46
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(hydroxymethyl)-2-[(sulfamoylamino)methyl]cyclopentane
CID 112573821
N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide
CID 82843297
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783
N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2-methylpropan-1-amine
CID 114816751
1-(aminomethyl)-4-[(sulfamoylamino)methyl]cyclohexane
CID 123446235
1-methyl-2-[(sulfamoylamino)methyl]cyclopropane
CID 115581735
N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 64929835
2-[(sulfamoylamino)methyl]oxolane
CID 68548773
2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine
CID 115752499
N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide
CID 114295370
N-[(2-aminocyclopentyl)methyl]cyclopentanesulfonamide
CID 115752313
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane?
The IUPAC name of 1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane (CID 114959618) is 1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane is NCC1CCCCC1CNS(N)(=O)=O.
What is the InChIKey of 1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane?
The InChIKey is LMDVQICPXVFFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c9-5-7-3-1-2-4-8(7)6-11-14(10,12)13/h7-8,11H,1-6,9H2,(H2,10,12,13).
What are the key properties of 1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane?
1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane has a molecular weight of 221.33 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 114959618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).