N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide

C15H22N2O4S — CID 119312153

IUPACN-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide
SMILESCS(=O)(=O)CCOc1cccc(NC(=O)C2CCCCN2)c1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)10-9-21-13-6-4-5-12(11-13)17-15(18)14-7-2-3-8-16-14/h4-6,11,14,16H,2-3,7-10H2,1H3,(H,17,18)
InChIKeyBTTXLWSNBPWHRU-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.19
Rot. Bonds6

About N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide

N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide (PubChem CID 119312153) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide
PubChem CID119312153
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide
SMILESCS(=O)(=O)CCOc1cccc(NC(=O)C2CCCCN2)c1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)10-9-21-13-6-4-5-12(11-13)17-15(18)14-7-2-3-8-16-14/h4-6,11,14,16H,2-3,7-10H2,1H3,(H,17,18)
InChIKeyBTTXLWSNBPWHRU-UHFFFAOYSA-N
XLogP1.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-fluoroethoxy)phenyl]piperidine-2-carboxamide
CID 119337980
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide
CID 103809015
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119284224
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
CID 119859094
N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 119846086
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide (CID 119312153) is N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide is CS(=O)(=O)CCOc1cccc(NC(=O)C2CCCCN2)c1.
What is the InChIKey of N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide?
The InChIKey is BTTXLWSNBPWHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-22(19,20)10-9-21-13-6-4-5-12(11-13)17-15(18)14-7-2-3-8-16-14/h4-6,11,14,16H,2-3,7-10H2,1H3,(H,17,18).
What are the key properties of N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide?
N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119312153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).