N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide

C16H26N2O3S — CID 95212770

IUPACN-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC[C@H]1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C16H26N2O3S/c1-2-22(20,21)17-9-8-14-6-4-10-18(12-14)13-15-5-3-7-16(19)11-15/h3,5,7,11,14,17,19H,2,4,6,8-10,12-13H2,1H3/t14-/m1/s1
InChIKeyARQWWMXDRWLXPY-CQSZACIVSA-N
MW326.46 g/mol
LogP1.93
Rot. Bonds7

About N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide

N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide (PubChem CID 95212770) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide
PubChem CID95212770
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC[C@H]1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C16H26N2O3S/c1-2-22(20,21)17-9-8-14-6-4-10-18(12-14)13-15-5-3-7-16(19)11-15/h3,5,7,11,14,17,19H,2,4,6,8-10,12-13H2,1H3/t14-/m1/s1
InChIKeyARQWWMXDRWLXPY-CQSZACIVSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]phenol
CID 114800587
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42310327
N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42566664
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
3-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 82986062
3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 62069269
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95211495
N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 125168473

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide (CID 95212770) is N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCC[C@H]1CCCN(Cc2cccc(O)c2)C1.
What is the InChIKey of N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide?
The InChIKey is ARQWWMXDRWLXPY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-2-22(20,21)17-9-8-14-6-4-10-18(12-14)13-15-5-3-7-16(19)11-15/h3,5,7,11,14,17,19H,2,4,6,8-10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide?
N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 95212770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).