2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid

C19H26N2O5S — CID 119195449

IUPAC2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)O)C3CC3)CC2)cc1C
InChIInChI=1S/C19H26N2O5S/c1-13-3-6-17(11-14(13)2)27(25,26)20-9-7-15(8-10-20)19(24)21(12-18(22)23)16-4-5-16/h3,6,11,15-16H,4-5,7-10,12H2,1-2H3,(H,22,23)
InChIKeyWSJLOVRKNLPLRQ-UHFFFAOYSA-N
MW394.49 g/mol
LogP1.78
Rot. Bonds6

About 2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid

2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid (PubChem CID 119195449) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid
PubChem CID119195449
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)O)C3CC3)CC2)cc1C
InChIInChI=1S/C19H26N2O5S/c1-13-3-6-17(11-14(13)2)27(25,26)20-9-7-15(8-10-20)19(24)21(12-18(22)23)16-4-5-16/h3,6,11,15-16H,4-5,7-10,12H2,1-2H3,(H,22,23)
InChIKeyWSJLOVRKNLPLRQ-UHFFFAOYSA-N
XLogP1.78
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55636271
2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid
CID 119194905
N-cyclohexyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 51147994
N-(3-amino-2,2-dimethylpropyl)-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 119653551
N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55370290
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
1-(3,4-dimethylphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide
CID 46554947
1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 1452402
1-(3,4-dimethylphenyl)sulfonyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 26619213
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid (CID 119195449) is 2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)O)C3CC3)CC2)cc1C.
What is the InChIKey of 2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid?
The InChIKey is WSJLOVRKNLPLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-13-3-6-17(11-14(13)2)27(25,26)20-9-7-15(8-10-20)19(24)21(12-18(22)23)16-4-5-16/h3,6,11,15-16H,4-5,7-10,12H2,1-2H3,(H,22,23).
What are the key properties of 2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid?
2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid has a molecular weight of 394.49 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 119195449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).