[4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium

C10H24N3O2S+ — CID 18324777

IUPAC[4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium
SMILESC[N+](C)(CC1CCC(CN)CC1)S(N)(=O)=O
InChIInChI=1S/C10H24N3O2S/c1-13(2,16(12,14)15)8-10-5-3-9(7-11)4-6-10/h9-10H,3-8,11H2,1-2H3,(H2,12,14,15)/q+1
InChIKeyFRNSZGZEDFHTTP-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.03
Rot. Bonds4

About [4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium

[4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium (PubChem CID 18324777) has the molecular formula C10H24N3O2S+ and a molecular weight of 250.39 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium
PubChem CID18324777
Molecular FormulaC10H24N3O2S+
Molecular Weight250.39 g/mol
Exact Mass250.16
IUPAC Name[4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium
SMILESC[N+](C)(CC1CCC(CN)CC1)S(N)(=O)=O
InChIInChI=1S/C10H24N3O2S/c1-13(2,16(12,14)15)8-10-5-3-9(7-11)4-6-10/h9-10H,3-8,11H2,1-2H3,(H2,12,14,15)/q+1
InChIKeyFRNSZGZEDFHTTP-UHFFFAOYSA-N
XLogP0.03
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium?
The IUPAC name of [4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium (CID 18324777) is [4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium is C[N+](C)(CC1CCC(CN)CC1)S(N)(=O)=O.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium?
The InChIKey is FRNSZGZEDFHTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N3O2S/c1-13(2,16(12,14)15)8-10-5-3-9(7-11)4-6-10/h9-10H,3-8,11H2,1-2H3,(H2,12,14,15)/q+1.
What are the key properties of [4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium?
[4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium has a molecular weight of 250.39 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium is sourced from PubChem (CID 18324777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).