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

C12H16N2O3S — CID 55132697

IUPACN-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC(O)C1)c1ccsc1
InChIInChI=1S/C12H16N2O3S/c15-10-2-5-14(7-10)11(16)1-4-13-12(17)9-3-6-18-8-9/h3,6,8,10,15H,1-2,4-5,7H2,(H,13,17)
InChIKeyQSTCZNMAJYCZRF-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.46
Rot. Bonds4

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

N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 55132697) 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-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID55132697
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC(O)C1)c1ccsc1
InChIInChI=1S/C12H16N2O3S/c15-10-2-5-14(7-10)11(16)1-4-13-12(17)9-3-6-18-8-9/h3,6,8,10,15H,1-2,4-5,7H2,(H,13,17)
InChIKeyQSTCZNMAJYCZRF-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-(2-hydroxy-2-methyl-4-(methylthio)butyl)thiophene-3-carboxamide
CID 71787267
[(3R*,4R*)-4-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-1-(3-thienylcarbonyl)-3-pyrrolidinyl]methanol
CID 72901767
[(3R,4R)-3-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 72918900
N-(2-hydroxy-3-(2-oxopyridin-1(2H)-yl)propyl)thiophene-3-carboxamide
CID 76150344
N-[(S)-2-hydroxy-2-methyl-4-(methylthio)butyl]-3-thenamide
CID 95984273
8-(Thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one
CID 110201624
N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 86283151
N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]thiophene-3-carboxamide
CID 164634589
N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103723116
N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide
CID 103723171
N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103769624
N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 103770460

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-3-carboxamide (CID 55132697) is N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-3-carboxamide is O=C(NCCC(=O)N1CCC(O)C1)c1ccsc1.
What is the InChIKey of N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is QSTCZNMAJYCZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-10-2-5-14(7-10)11(16)1-4-13-12(17)9-3-6-18-8-9/h3,6,8,10,15H,1-2,4-5,7H2,(H,13,17).
What are the key properties of N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-3-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-3-carboxamide is sourced from PubChem (CID 55132697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).