methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate

C13H20N2O4S2 — CID 86841914

IUPACmethyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)OC)CC2)s1
InChIInChI=1S/C13H20N2O4S2/c1-3-11-4-5-12(20-11)21(17,18)14-10-6-8-15(9-7-10)13(16)19-2/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyDUDBTMUSICEOJY-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.82
Rot. Bonds4

About methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate

methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 86841914) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
PubChem CID86841914
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Namemethyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)OC)CC2)s1
InChIInChI=1S/C13H20N2O4S2/c1-3-11-4-5-12(20-11)21(17,18)14-10-6-8-15(9-7-10)13(16)19-2/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyDUDBTMUSICEOJY-UHFFFAOYSA-N
XLogP1.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 127470974
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61454626
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
CID 39966135
5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025620
methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821806
5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 110736772
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
N-(5-azaspiro[3.5]nonan-8-yl)-5-ethylthiophene-2-sulfonamide
CID 61454324

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate (CID 86841914) is methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate is CCc1ccc(S(=O)(=O)NC2CCN(C(=O)OC)CC2)s1.
What is the InChIKey of methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is DUDBTMUSICEOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-3-11-4-5-12(20-11)21(17,18)14-10-6-8-15(9-7-10)13(16)19-2/h4-5,10,14H,3,6-9H2,1-2H3.
What are the key properties of methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate?
methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 332.45 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 86841914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).