3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride

C11H26ClN3O2S — CID 120726699

IUPAC3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride
SMILESCCCCN(C)S(=O)(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C11H25N3O2S.ClH/c1-4-5-9-14(3)17(15,16)13-11-7-6-8-12-10(11)2;/h10-13H,4-9H2,1-3H3;1H
InChIKeyRHTFPEXOTGZGIW-UHFFFAOYSA-N
MW299.87 g/mol
LogP1.12
Rot. Bonds6

About 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride

3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride (PubChem CID 120726699) has the molecular formula C11H26ClN3O2S and a molecular weight of 299.87 g/mol. Its IUPAC name is 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride
PubChem CID120726699
Molecular FormulaC11H26ClN3O2S
Molecular Weight299.87 g/mol
Exact Mass299.14
IUPAC Name3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride
SMILESCCCCN(C)S(=O)(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C11H25N3O2S.ClH/c1-4-5-9-14(3)17(15,16)13-11-7-6-8-12-10(11)2;/h10-13H,4-9H2,1-3H3;1H
InChIKeyRHTFPEXOTGZGIW-UHFFFAOYSA-N
XLogP1.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,3R)-1-[[butyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane
CID 99849696
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N-(2-methylpiperidin-3-yl)-2-propylsulfonylacetamide
CID 120577111
3-methoxy-N-(2-methylpiperidin-3-yl)propane-1-sulfonamide
CID 79043799
1-ethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106002882
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride
CID 120720412
4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
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4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride?
The IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride (CID 120726699) is 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride.
What is the SMILES notation for 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride?
The canonical SMILES for 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride is CCCCN(C)S(=O)(=O)NC1CCCNC1C.Cl.
What is the InChIKey of 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride?
The InChIKey is RHTFPEXOTGZGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S.ClH/c1-4-5-9-14(3)17(15,16)13-11-7-6-8-12-10(11)2;/h10-13H,4-9H2,1-3H3;1H.
What are the key properties of 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride?
3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride has a molecular weight of 299.87 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride is sourced from PubChem (CID 120726699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).