3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide

C16H22N2O3S — CID 9442263

IUPAC3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1
InChIInChI=1S/C16H22N2O3S/c1-3-10-17-16(19)14-8-6-9-15(12-14)22(20,21)18-11-5-4-7-13(18)2/h3,6,8-9,12-13H,1,4-5,7,10-11H2,2H3,(H,17,19)/t13-/m1/s1
InChIKeyGMIKQBFJBSAGLG-CYBMUJFWSA-N
MW322.43 g/mol
LogP2.17
Rot. Bonds5

About 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide

3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide (PubChem CID 9442263) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
PubChem CID9442263
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1
InChIInChI=1S/C16H22N2O3S/c1-3-10-17-16(19)14-8-6-9-15(12-14)22(20,21)18-11-5-4-7-13(18)2/h3,6,8-9,12-13H,1,4-5,7,10-11H2,2H3,(H,17,19)/t13-/m1/s1
InChIKeyGMIKQBFJBSAGLG-CYBMUJFWSA-N
XLogP2.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442145
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 86950492
3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 86886098
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 11932722
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463606
3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 112765094
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide?
The IUPAC name of 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide (CID 9442263) is 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1.
What is the InChIKey of 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide?
The InChIKey is GMIKQBFJBSAGLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-3-10-17-16(19)14-8-6-9-15(12-14)22(20,21)18-11-5-4-7-13(18)2/h3,6,8-9,12-13H,1,4-5,7,10-11H2,2H3,(H,17,19)/t13-/m1/s1.
What are the key properties of 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide?
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide has a molecular weight of 322.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 9442263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).