[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone

C11H16N2O2S — CID 73440059

IUPAC[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCN(C)[C@@H]1CN(C(=O)c2cccs2)C[C@H]1O
InChIInChI=1S/C11H16N2O2S/c1-12(2)8-6-13(7-9(8)14)11(15)10-4-3-5-16-10/h3-5,8-9,14H,6-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyHNQGLWOSXZIONX-RKDXNWHRSA-N
MW240.33 g/mol
LogP0.50
Rot. Bonds2

About [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone

[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 73440059) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID73440059
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCN(C)[C@@H]1CN(C(=O)c2cccs2)C[C@H]1O
InChIInChI=1S/C11H16N2O2S/c1-12(2)8-6-13(7-9(8)14)11(15)10-4-3-5-16-10/h3-5,8-9,14H,6-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyHNQGLWOSXZIONX-RKDXNWHRSA-N
XLogP0.50
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-3-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 129336402
[(3aS,6aR)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97457824
2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680820
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110107956
(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 110602244
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
CID 110107972
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 73440059) is [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone is CN(C)[C@@H]1CN(C(=O)c2cccs2)C[C@H]1O.
What is the InChIKey of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is HNQGLWOSXZIONX-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-12(2)8-6-13(7-9(8)14)11(15)10-4-3-5-16-10/h3-5,8-9,14H,6-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone?
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 240.33 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 73440059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).