N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine

C15H25N3O2S — CID 63636927

IUPACN-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine
SMILESCCN(C1CCCNC1)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H25N3O2S/c1-3-18(15-10-7-11-16-12-15)21(19,20)17(2)13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3
InChIKeyNFGVGFMXSUAGNU-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.44
Rot. Bonds6

About N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine

N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine (PubChem CID 63636927) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine
PubChem CID63636927
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine
SMILESCCN(C1CCCNC1)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H25N3O2S/c1-3-18(15-10-7-11-16-12-15)21(19,20)17(2)13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3
InChIKeyNFGVGFMXSUAGNU-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dimethylsulfamoyl)-N-ethylpiperidin-3-amine
CID 60807042
N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 70755777
N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106608147
(3R)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66569420
N-ethyl-N-piperidin-3-ylmethanesulfonamide
CID 60806038
(3R)-N-benzyl-N-cyclopropylpiperidin-3-amine
CID 66569431
N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
CID 63637635
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide
CID 63637982
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-ethyl-N-piperidin-3-ylpropane-2-sulfonamide
CID 60858628

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine?
The IUPAC name of N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine (CID 63636927) is N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine.
What is the SMILES notation for N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine?
The canonical SMILES for N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine is CCN(C1CCCNC1)S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine?
The InChIKey is NFGVGFMXSUAGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-18(15-10-7-11-16-12-15)21(19,20)17(2)13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3.
What are the key properties of N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine?
N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine has a molecular weight of 311.45 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine is sourced from PubChem (CID 63636927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).