4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide

C14H20N2O4S — CID 94172220

IUPAC4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide
SMILESC[C@H]1CCCCN1C(=O)COc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-11-4-2-3-9-16(11)14(17)10-20-12-5-7-13(8-6-12)21(15,18)19/h5-8,11H,2-4,9-10H2,1H3,(H2,15,18,19)/t11-/m0/s1
InChIKeyRMDPNIWRPHSLEN-NSHDSACASA-N
MW312.39 g/mol
LogP1.11
Rot. Bonds4

About 4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide

4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide (PubChem CID 94172220) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide
PubChem CID94172220
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide
SMILESC[C@H]1CCCCN1C(=O)COc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-11-4-2-3-9-16(11)14(17)10-20-12-5-7-13(8-6-12)21(15,18)19/h5-8,11H,2-4,9-10H2,1H3,(H2,15,18,19)/t11-/m0/s1
InChIKeyRMDPNIWRPHSLEN-NSHDSACASA-N
XLogP1.11
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678609
2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 107675285
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553647
2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 108520273
4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 94813801
1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 116636305
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 41105144
2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone
CID 106486108
1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 112787708
4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65376127
1-[2-(aminomethyl)piperidin-1-yl]-2-(4-ethoxyphenoxy)ethanone;hydrochloride
CID 119468043

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide (CID 94172220) is 4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide is C[C@H]1CCCCN1C(=O)COc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide?
The InChIKey is RMDPNIWRPHSLEN-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11-4-2-3-9-16(11)14(17)10-20-12-5-7-13(8-6-12)21(15,18)19/h5-8,11H,2-4,9-10H2,1H3,(H2,15,18,19)/t11-/m0/s1.
What are the key properties of 4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide?
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide is sourced from PubChem (CID 94172220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).