3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine

C13H29N3O2S — CID 106631308

IUPAC3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine
SMILESCCCN(CC1CCCNC1)S(=O)(=O)NCC(C)C
InChIInChI=1S/C13H29N3O2S/c1-4-8-16(11-13-6-5-7-14-10-13)19(17,18)15-9-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyLHLBLTVFJAIDOE-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.19
Rot. Bonds8

About 3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine

3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine (PubChem CID 106631308) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine.

Molecular Properties

Compound Name3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine
PubChem CID106631308
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine
SMILESCCCN(CC1CCCNC1)S(=O)(=O)NCC(C)C
InChIInChI=1S/C13H29N3O2S/c1-4-8-16(11-13-6-5-7-14-10-13)19(17,18)15-9-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyLHLBLTVFJAIDOE-UHFFFAOYSA-N
XLogP1.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine 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

3-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631336
N-(piperidin-3-ylmethyl)-N-propylcyclopentanesulfonamide
CID 106631385
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631342
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
CID 106631296
1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631368
3-[methyl(2-methylpropylsulfamoyl)amino]piperidine
CID 114814263
3-[2-(diethylsulfamoylamino)ethyl]piperidine;hydrochloride
CID 119979613
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281
2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid
CID 106631065
5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106631369
N-(2-hydroxyethyl)-1-piperidin-3-yl-N-propylmethanesulfonamide
CID 54972143
N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
CID 106640714

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine?
The IUPAC name of 3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine (CID 106631308) is 3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine.
What is the SMILES notation for 3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine?
The canonical SMILES for 3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine is CCCN(CC1CCCNC1)S(=O)(=O)NCC(C)C.
What is the InChIKey of 3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine?
The InChIKey is LHLBLTVFJAIDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-4-8-16(11-13-6-5-7-14-10-13)19(17,18)15-9-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine?
3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine has a molecular weight of 291.46 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine is sourced from PubChem (CID 106631308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).