N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine

C10H23N3O2S — CID 114812941

IUPACN-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine
SMILESCCNS(=O)(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C10H23N3O2S/c1-2-12-16(14,15)13-9-10(8-11)6-4-3-5-7-10/h12-13H,2-9,11H2,1H3
InChIKeyXENSLEVSFQROCK-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.34
Rot. Bonds6

About N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine

N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine (PubChem CID 114812941) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine
PubChem CID114812941
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine
SMILESCCNS(=O)(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C10H23N3O2S/c1-2-12-16(14,15)13-9-10(8-11)6-4-3-5-7-10/h12-13H,2-9,11H2,1H3
InChIKeyXENSLEVSFQROCK-UHFFFAOYSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine 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

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
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]methanesulfonamide
CID 9881146
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]methanesulfonamide;hydrochloride
CID 21888412
(1-Methylcyclohexyl)methylsulfamic acid
CID 23197363
1-(2-Methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane
CID 71131584
1-Methyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 112686407
1-Ethyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 112687372
1-Tert-butyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 132129618
N-(cyclohexylmethylsulfamoyl)butan-1-amine
CID 144193939
1-(3,3-Dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane
CID 162101140

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine (CID 114812941) is N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine is CCNS(=O)(=O)NCC1(CN)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine?
The InChIKey is XENSLEVSFQROCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-2-12-16(14,15)13-9-10(8-11)6-4-3-5-7-10/h12-13H,2-9,11H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine?
N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine has a molecular weight of 249.38 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]ethanamine is sourced from PubChem (CID 114812941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).