N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide

C15H22N2O3S — CID 7423212

IUPACN-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide
SMILESC[C@H]1CCCN(S(=O)(=O)CCNC(=O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O3S/c1-13-6-5-10-17(12-13)21(19,20)11-9-16-15(18)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyASHJNXLMQHTAHE-ZDUSSCGKSA-N
MW310.42 g/mol
LogP1.48
Rot. Bonds5

About N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide

N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide (PubChem CID 7423212) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide
PubChem CID7423212
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide
SMILESC[C@H]1CCCN(S(=O)(=O)CCNC(=O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O3S/c1-13-6-5-10-17(12-13)21(19,20)11-9-16-15(18)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyASHJNXLMQHTAHE-ZDUSSCGKSA-N
XLogP1.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]benzamide
CID 18582812
N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide
CID 136576495
N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782887
N-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 1118538
N-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethyl]benzamide
CID 7600931
3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)benzamide
CID 110287574
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-4-methoxybenzamide
CID 7618148
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide
CID 110345279
N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide
CID 7423224
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601079

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide?
The IUPAC name of N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide (CID 7423212) is N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide.
What is the SMILES notation for N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide?
The canonical SMILES for N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide is C[C@H]1CCCN(S(=O)(=O)CCNC(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide?
The InChIKey is ASHJNXLMQHTAHE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-13-6-5-10-17(12-13)21(19,20)11-9-16-15(18)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide?
N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide has a molecular weight of 310.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide is sourced from PubChem (CID 7423212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).