4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride

C12H28ClN3O2S — CID 120720412

IUPAC4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride
SMILESCCCCN(C)S(=O)(=O)NCC1(C)CCNCC1.Cl
InChIInChI=1S/C12H27N3O2S.ClH/c1-4-5-10-15(3)18(16,17)14-11-12(2)6-8-13-9-7-12;/h13-14H,4-11H2,1-3H3;1H
InChIKeyCJNUWRZQWBJUCJ-UHFFFAOYSA-N
MW313.90 g/mol
LogP1.36
Rot. Bonds7

About 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride

4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride (PubChem CID 120720412) has the molecular formula C12H28ClN3O2S and a molecular weight of 313.90 g/mol. Its IUPAC name is 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride
PubChem CID120720412
Molecular FormulaC12H28ClN3O2S
Molecular Weight313.90 g/mol
Exact Mass313.16
IUPAC Name4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride
SMILESCCCCN(C)S(=O)(=O)NCC1(C)CCNCC1.Cl
InChIInChI=1S/C12H27N3O2S.ClH/c1-4-5-10-15(3)18(16,17)14-11-12(2)6-8-13-9-7-12;/h13-14H,4-11H2,1-3H3;1H
InChIKeyCJNUWRZQWBJUCJ-UHFFFAOYSA-N
XLogP1.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.90
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane
CID 65121349
4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride
CID 120719916
N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine
CID 63122896
3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720873
N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide
CID 51078399
4-methoxy-4-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]piperidine
CID 114284389
3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride
CID 120726699
3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720872
1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylpropane
CID 65113164
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63730547
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
CID 64912910

Frequently Asked Questions

What is the IUPAC name of 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride (CID 120720412) is 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride is CCCCN(C)S(=O)(=O)NCC1(C)CCNCC1.Cl.
What is the InChIKey of 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride?
The InChIKey is CJNUWRZQWBJUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S.ClH/c1-4-5-10-15(3)18(16,17)14-11-12(2)6-8-13-9-7-12;/h13-14H,4-11H2,1-3H3;1H.
What are the key properties of 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride?
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride has a molecular weight of 313.90 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 120720412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).