3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide

C9H11ClN2O2S — CID 122571729

IUPAC3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CNC[C@H]1O)c1sccc1Cl
InChIInChI=1S/C9H11ClN2O2S/c10-5-1-2-15-8(5)9(14)12-6-3-11-4-7(6)13/h1-2,6-7,11,13H,3-4H2,(H,12,14)/t6-,7-/m1/s1
InChIKeyIIXDXTKWAJUBBP-RNFRBKRXSA-N
MW246.72 g/mol
LogP0.46
Rot. Bonds2

About 3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide

3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 122571729) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID122571729
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CNC[C@H]1O)c1sccc1Cl
InChIInChI=1S/C9H11ClN2O2S/c10-5-1-2-15-8(5)9(14)12-6-3-11-4-7(6)13/h1-2,6-7,11,13H,3-4H2,(H,12,14)/t6-,7-/m1/s1
InChIKeyIIXDXTKWAJUBBP-RNFRBKRXSA-N
XLogP0.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 154907992
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 106366820
4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 80644088
3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
CID 80642399
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide
CID 122565327
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
CID 122559914
3-chloro-N-cyclopentyloxythiophene-2-carboxamide
CID 83235964
N-[(3-bromocyclohexyl)methyl]-3-chlorothiophene-2-carboxamide
CID 106133249
3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide
CID 125444851
N-carbamoyl-3-chlorothiophene-2-carboxamide
CID 80642165

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide (CID 122571729) is 3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide is O=C(N[C@@H]1CNC[C@H]1O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is IIXDXTKWAJUBBP-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-5-1-2-15-8(5)9(14)12-6-3-11-4-7(6)13/h1-2,6-7,11,13H,3-4H2,(H,12,14)/t6-,7-/m1/s1.
What are the key properties of 3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide?
3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 246.72 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 122571729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).