N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide

C12H16N2O3S — CID 62916407

IUPACN-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCC(O)C1)c1cccs1
InChIInChI=1S/C12H16N2O3S/c15-9-4-6-14(8-9)11(16)3-5-13-12(17)10-2-1-7-18-10/h1-2,7,9,15H,3-6,8H2,(H,13,17)
InChIKeyHEGKIQKPFFATRP-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.46
Rot. Bonds4

About N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 62916407) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID62916407
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCC(O)C1)c1cccs1
InChIInChI=1S/C12H16N2O3S/c15-9-4-6-14(8-9)11(16)3-5-13-12(17)10-2-1-7-18-10/h1-2,7,9,15H,3-6,8H2,(H,13,17)
InChIKeyHEGKIQKPFFATRP-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 107224907
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 43422304
N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride
CID 120998048
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 115775139
ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
CID 51180748
N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 49407863
N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide
CID 46464329
N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 99788864
N-[3-[(3R)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 99788863
N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 114679823

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide (CID 62916407) is N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide is O=C(NCCC(=O)N1CCC(O)C1)c1cccs1.
What is the InChIKey of N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is HEGKIQKPFFATRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-9-4-6-14(8-9)11(16)3-5-13-12(17)10-2-1-7-18-10/h1-2,7,9,15H,3-6,8H2,(H,13,17).
What are the key properties of N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 62916407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).