[[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane

C11H25N3O2S — CID 54952455

IUPAC[[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane
SMILESCN(CCCN)S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-14(9-5-8-12)17(15,16)13-10-11-6-3-2-4-7-11/h11,13H,2-10,12H2,1H3
InChIKeyBVVKMHHDHNDGRD-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.68
Rot. Bonds7

About [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane

[[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane (PubChem CID 54952455) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane.

Molecular Properties

Compound Name[[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane
PubChem CID54952455
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name[[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane
SMILESCN(CCCN)S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-14(9-5-8-12)17(15,16)13-10-11-6-3-2-4-7-11/h11,13H,2-10,12H2,1H3
InChIKeyBVVKMHHDHNDGRD-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylsulfamoylamino)propylcyclohexane
CID 53535321
1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
1-(Aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114810978
N-(3-cyclohexylpropyl)azepane-1-sulfonamide
CID 71896285
N-(cyclohexylmethyl)aminosulfonamide
CID 17894196
4-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
CID 17946855
[4-(Aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium
CID 18324777
1-Amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 22000435
N'-[4-(aminomethyl)cyclohexyl]methyl-N,N-dimethylsulfamide
CID 22254077
1-(Dimethylsulfamoylamino)-4-methylcyclohexane
CID 23381127
(Dimethylsulfamoylamino)methylcyclohexane
CID 35292128
[(2R)-2-(dimethylsulfamoylamino)propyl]cyclohexane
CID 58923317

Frequently Asked Questions

What is the IUPAC name of [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane?
The IUPAC name of [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane (CID 54952455) is [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane.
What is the SMILES notation for [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane?
The canonical SMILES for [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane is CN(CCCN)S(=O)(=O)NCC1CCCCC1.
What is the InChIKey of [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane?
The InChIKey is BVVKMHHDHNDGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-14(9-5-8-12)17(15,16)13-10-11-6-3-2-4-7-11/h11,13H,2-10,12H2,1H3.
What are the key properties of [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane?
[[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane has a molecular weight of 263.41 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclohexane is sourced from PubChem (CID 54952455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).