2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate

C15H19N2O5S- — CID 4104639

IUPAC2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)[O-])cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O5S/c1-11-5-6-12(15(20)16-10-14(18)19)9-13(11)23(21,22)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,20)(H,18,19)/p-1
InChIKeyQTDAFVADFHVPFW-UHFFFAOYSA-M
MW339.39 g/mol
LogP-0.35
Rot. Bonds5

About 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate

2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate (PubChem CID 4104639) has the molecular formula C15H19N2O5S- and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate.

Molecular Properties

Compound Name2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
PubChem CID4104639
Molecular FormulaC15H19N2O5S-
Molecular Weight339.39 g/mol
Exact Mass339.10
IUPAC Name2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)[O-])cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O5S/c1-11-5-6-12(15(20)16-10-14(18)19)9-13(11)23(21,22)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,20)(H,18,19)/p-1
InChIKeyQTDAFVADFHVPFW-UHFFFAOYSA-M
XLogP-0.35
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8886322
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8919230
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 119448829
N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 18169006
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
4-methyl-3-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514288
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate?
The IUPAC name of 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate (CID 4104639) is 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate.
What is the SMILES notation for 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate?
The canonical SMILES for 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)[O-])cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate?
The InChIKey is QTDAFVADFHVPFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H20N2O5S/c1-11-5-6-12(15(20)16-10-14(18)19)9-13(11)23(21,22)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,20)(H,18,19)/p-1.
What are the key properties of 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate?
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate has a molecular weight of 339.39 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate is sourced from PubChem (CID 4104639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).