N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide

C15H25N3O2S — CID 174728615

IUPACN-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN2CCC(CCN)CC2)c1
InChIInChI=1S/C15H25N3O2S/c1-21(19,20)17-15-4-2-3-14(11-15)12-18-9-6-13(5-8-16)7-10-18/h2-4,11,13,17H,5-10,12,16H2,1H3
InChIKeyIZFCUKRJWLXQHZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.62
Rot. Bonds6

About N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide

N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide (PubChem CID 174728615) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide
PubChem CID174728615
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN2CCC(CCN)CC2)c1
InChIInChI=1S/C15H25N3O2S/c1-21(19,20)17-15-4-2-3-14(11-15)12-18-9-6-13(5-8-16)7-10-18/h2-4,11,13,17H,5-10,12,16H2,1H3
InChIKeyIZFCUKRJWLXQHZ-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106817832
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
N-[3-[2-[4-[(2-bromo-5-methylphenyl)methyl]piperidin-1-yl]ethyl]phenyl]methanesulfonamide
CID 59105364
N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide
CID 28731349
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide
CID 64590840
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide
CID 67037769
4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872345

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide (CID 174728615) is N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CN2CCC(CCN)CC2)c1.
What is the InChIKey of N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is IZFCUKRJWLXQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-21(19,20)17-15-4-2-3-14(11-15)12-18-9-6-13(5-8-16)7-10-18/h2-4,11,13,17H,5-10,12,16H2,1H3.
What are the key properties of N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 174728615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).