N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide

C10H14N2O2S — CID 43595849

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H14N2O2S/c1-12(8-4-11-5-9(8)13)10(14)7-2-3-15-6-7/h2-3,6,8-9,11,13H,4-5H2,1H3/t8-,9-/m1/s1
InChIKeyUHCVDDRVCKTWCL-RKDXNWHRSA-N
MW226.30 g/mol
LogP0.15
Rot. Bonds2

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide (PubChem CID 43595849) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide
PubChem CID43595849
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H14N2O2S/c1-12(8-4-11-5-9(8)13)10(14)7-2-3-15-6-7/h2-3,6,8-9,11,13H,4-5H2,1H3/t8-,9-/m1/s1
InChIKeyUHCVDDRVCKTWCL-RKDXNWHRSA-N
XLogP0.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
CID 71789233
N-(2-hydroxy-3-(2-oxopyridin-1(2H)-yl)propyl)thiophene-3-carboxamide
CID 76150344
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(3-thienylcarbonyl)-4-piperidyl]tetrahydro-1H-pyrrole-2-carboxamide
CID 110197294
(2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110197451
N-(1-amino-3-methoxy-1-oxopropan-2-yl)thiophene-3-carboxamide
CID 75391967
N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 86283151
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
N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 103857516
(3R,4R)-4-(4,4-Difluoropiperidin-1-YL)-1-(thiophene-3-carbonyl)pyrrolidin-3-OL
CID 110108519

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide (CID 43595849) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide is CN(C(=O)c1ccsc1)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide?
The InChIKey is UHCVDDRVCKTWCL-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-12(8-4-11-5-9(8)13)10(14)7-2-3-15-6-7/h2-3,6,8-9,11,13H,4-5H2,1H3/t8-,9-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 43595849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).