[(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate

C17H25ClN2O3S — CID 137372945

IUPAC[(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate
SMILESCCC(CCNC(=O)c1ccc(Cl)s1)COC(=O)N1CCCCC1
InChIInChI=1S/C17H25ClN2O3S/c1-2-13(12-23-17(22)20-10-4-3-5-11-20)8-9-19-16(21)14-6-7-15(18)24-14/h6-7,13H,2-5,8-12H2,1H3,(H,19,21)
InChIKeyJWYDTBCHIKCROL-UHFFFAOYSA-N
MW372.92 g/mol
LogP4.17
Rot. Bonds7

About [(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate

[(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate (PubChem CID 137372945) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is [(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate
PubChem CID137372945
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC Name[(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate
SMILESCCC(CCNC(=O)c1ccc(Cl)s1)COC(=O)N1CCCCC1
InChIInChI=1S/C17H25ClN2O3S/c1-2-13(12-23-17(22)20-10-4-3-5-11-20)8-9-19-16(21)14-6-7-15(18)24-14/h6-7,13H,2-5,8-12H2,1H3,(H,19,21)
InChIKeyJWYDTBCHIKCROL-UHFFFAOYSA-N
XLogP4.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide
CID 103877510
5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516
[(3S)-3-[(5-chlorothiophene-2-carbonyl)amino]-1-(ethylamino)butyl] piperidine-1-carboxylate
CID 174994435
2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate
CID 169435764
tert-butyl N-[1-(azepan-1-yl)-3-[(5-chlorothiophene-2-carbonyl)amino]-1-oxopropan-2-yl]carbamate
CID 77233525
5-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 25161511
5-chloro-N-[2-[[4-[(Z)-N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 11752034
5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119621242
5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide
CID 97106233
N-(2-aminoethyl)-1-(5-chlorothiophene-2-carbonyl)piperidine-3-carboxamide
CID 63251929
5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane
CID 143722959
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-3-ethoxy-3-oxopropyl]piperidine-1-carboxylate
CID 137373257

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate?
The IUPAC name of [(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate (CID 137372945) is [(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate.
What is the SMILES notation for [(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate?
The canonical SMILES for [(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate is CCC(CCNC(=O)c1ccc(Cl)s1)COC(=O)N1CCCCC1.
What is the InChIKey of [(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate?
The InChIKey is JWYDTBCHIKCROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-2-13(12-23-17(22)20-10-4-3-5-11-20)8-9-19-16(21)14-6-7-15(18)24-14/h6-7,13H,2-5,8-12H2,1H3,(H,19,21).
What are the key properties of [(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate?
[(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate has a molecular weight of 372.92 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate is sourced from PubChem (CID 137372945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).