N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide

C15H25N3O2S — CID 61013841

IUPACN-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(CCN)Cc2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-14-7-10-17(11-8-14)21(19,20)18(12-9-16)13-15-5-3-2-4-6-15/h2-6,14H,7-13,16H2,1H3
InChIKeySNWSPZJBQHGBHA-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.42
Rot. Bonds6

About N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide

N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide (PubChem CID 61013841) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide
PubChem CID61013841
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(CCN)Cc2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-14-7-10-17(11-8-14)21(19,20)18(12-9-16)13-15-5-3-2-4-6-15/h2-6,14H,7-13,16H2,1H3
InChIKeySNWSPZJBQHGBHA-UHFFFAOYSA-N
XLogP1.42
TPSA66.64 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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120584167
N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide
CID 107366720
N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide
CID 60921183
N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide
CID 120895336
N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide;hydrochloride
CID 120895335
N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
CID 61013839
N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide
CID 86841877
N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride
CID 120584146
4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide
CID 63594648
N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide
CID 29032011
N-(2-aminoethyl)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 106511503
(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide
CID 115301795

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide (CID 61013841) is N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(CCN)Cc2ccccc2)CC1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide?
The InChIKey is SNWSPZJBQHGBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-14-7-10-17(11-8-14)21(19,20)18(12-9-16)13-15-5-3-2-4-6-15/h2-6,14H,7-13,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide?
N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61013841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).