3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride

C11H26ClN3O2S — CID 120720872

IUPAC3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
SMILESCCN(CC)S(=O)(=O)NCC1(C)CCCNC1.Cl
InChIInChI=1S/C11H25N3O2S.ClH/c1-4-14(5-2)17(15,16)13-10-11(3)7-6-8-12-9-11;/h12-13H,4-10H2,1-3H3;1H
InChIKeyYYDZRRKQEPUQTA-UHFFFAOYSA-N
MW299.87 g/mol
LogP0.97
Rot. Bonds6

About 3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride

3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride (PubChem CID 120720872) has the molecular formula C11H26ClN3O2S and a molecular weight of 299.87 g/mol. Its IUPAC name is 3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
PubChem CID120720872
Molecular FormulaC11H26ClN3O2S
Molecular Weight299.87 g/mol
Exact Mass299.14
IUPAC Name3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
SMILESCCN(CC)S(=O)(=O)NCC1(C)CCCNC1.Cl
InChIInChI=1S/C11H25N3O2S.ClH/c1-4-14(5-2)17(15,16)13-10-11(3)7-6-8-12-9-11;/h12-13H,4-10H2,1-3H3;1H
InChIKeyYYDZRRKQEPUQTA-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720873
N-[(3-methylpiperidin-3-yl)methyl]cyclopropanesulfonamide;hydrochloride
CID 120720826
1-cyclopropyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
CID 120720655
1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
CID 120876267
N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride
CID 120720798
4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720830
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane
CID 34249483
1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine
CID 114125910
N-[(1-ethylcyclopentyl)methyl]-1-(3-methylpiperidin-3-yl)methanamine
CID 114125809
1-[(diethylsulfamoylamino)methyl]-1-(hydroxymethyl)cyclopentane
CID 113294525
N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795

Frequently Asked Questions

What is the IUPAC name of 3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride?
The IUPAC name of 3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride (CID 120720872) is 3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride.
What is the SMILES notation for 3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride?
The canonical SMILES for 3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride is CCN(CC)S(=O)(=O)NCC1(C)CCCNC1.Cl.
What is the InChIKey of 3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride?
The InChIKey is YYDZRRKQEPUQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S.ClH/c1-4-14(5-2)17(15,16)13-10-11(3)7-6-8-12-9-11;/h12-13H,4-10H2,1-3H3;1H.
What are the key properties of 3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride?
3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride has a molecular weight of 299.87 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride is sourced from PubChem (CID 120720872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).