[2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

C16H24N2O5S2 — CID 7843761

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCC(C)CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H24N2O5S2/c1-12(2)10-17-14(19)11-23-16(20)13-5-7-18(8-6-13)25(21,22)15-4-3-9-24-15/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,17,19)
InChIKeyGOQCMTQTAFPCEG-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.46
Rot. Bonds7

About [2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

[2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 7843761) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID7843761
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCC(C)CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H24N2O5S2/c1-12(2)10-17-14(19)11-23-16(20)13-5-7-18(8-6-13)25(21,22)15-4-3-9-24-15/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,17,19)
InChIKeyGOQCMTQTAFPCEG-UHFFFAOYSA-N
XLogP1.46
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 8854085
[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 25383539
[2-(4-butylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 3341794
[2-(2,5-dichloroanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2435758
(4-propan-2-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 7843819
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2403600
2-(4-methylphenoxy)ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 7843741
ethyl 1-[2-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)oxypropanoyl]piperidine-4-carboxylate
CID 42901401
(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492888
(2-methyl-1,3-thiazol-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 8854188
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 94617755
[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2454020

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (CID 7843761) is [2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is CC(C)CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is GOQCMTQTAFPCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-12(2)10-17-14(19)11-23-16(20)13-5-7-18(8-6-13)25(21,22)15-4-3-9-24-15/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,17,19).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
[2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 7843761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).