N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine

C17H29N3O2S — CID 119993996

IUPACN-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine
SMILESCCCN(C1CCNCC1)S(=O)(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C17H29N3O2S/c1-3-14-20(17-10-12-18-13-11-17)23(21,22)19(4-2)15-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15H2,1-2H3
InChIKeyNSQFNWCGUKVGFE-UHFFFAOYSA-N
MW339.50 g/mol
LogP2.22
Rot. Bonds8

About N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine

N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine (PubChem CID 119993996) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine
PubChem CID119993996
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC NameN-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine
SMILESCCCN(C1CCNCC1)S(=O)(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C17H29N3O2S/c1-3-14-20(17-10-12-18-13-11-17)23(21,22)19(4-2)15-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15H2,1-2H3
InChIKeyNSQFNWCGUKVGFE-UHFFFAOYSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride
CID 119967112
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
N-(diethylsulfamoyl)-N-propylazetidin-3-amine
CID 66214667
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119993734
N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine
CID 63636927
N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 119994035
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60806599
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine (CID 119993996) is N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine is CCCN(C1CCNCC1)S(=O)(=O)N(CC)Cc1ccccc1.
What is the InChIKey of N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine?
The InChIKey is NSQFNWCGUKVGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-3-14-20(17-10-12-18-13-11-17)23(21,22)19(4-2)15-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15H2,1-2H3.
What are the key properties of N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine?
N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine has a molecular weight of 339.50 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 119993996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).