N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide

C16H27N3O3S — CID 91470712

IUPACN-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC2CCN(CCN)CC2)cc1
InChIInChI=1S/C16H27N3O3S/c1-22-15-2-4-16(5-3-15)23(20,21)18-10-6-14-7-11-19(12-8-14)13-9-17/h2-5,14,18H,6-13,17H2,1H3
InChIKeyCXXCTVYHTLEBJF-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.03
Rot. Bonds8

About N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide

N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide (PubChem CID 91470712) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide
PubChem CID91470712
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC2CCN(CCN)CC2)cc1
InChIInChI=1S/C16H27N3O3S/c1-22-15-2-4-16(5-3-15)23(20,21)18-10-6-14-7-11-19(12-8-14)13-9-17/h2-5,14,18H,6-13,17H2,1H3
InChIKeyCXXCTVYHTLEBJF-UHFFFAOYSA-N
XLogP1.03
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-diethyl-4-pyridinyl)-3-[2-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]piperidin-1-yl]ethyl]urea
CID 91563773
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
N-[3-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl]propyl]-4-methoxybenzenesulfonamide
CID 162649188
4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 90522732
4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977148
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979446
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42389259
4-amino-3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 114514910
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide (CID 91470712) is N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCC2CCN(CCN)CC2)cc1.
What is the InChIKey of N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is CXXCTVYHTLEBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-22-15-2-4-16(5-3-15)23(20,21)18-10-6-14-7-11-19(12-8-14)13-9-17/h2-5,14,18H,6-13,17H2,1H3.
What are the key properties of N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide?
N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 341.48 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-aminoethyl)piperidin-4-yl]ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 91470712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).