3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one

C15H20N2OS — CID 81300721

IUPAC3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNC1CSc2ccccc21)N1CCCC1
InChIInChI=1S/C15H20N2OS/c18-15(17-9-3-4-10-17)7-8-16-13-11-19-14-6-2-1-5-12(13)14/h1-2,5-6,13,16H,3-4,7-11H2
InChIKeyCLFGYNSFRYJEMD-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.44
Rot. Bonds4

About 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one

3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 81300721) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID81300721
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNC1CSc2ccccc21)N1CCCC1
InChIInChI=1S/C15H20N2OS/c18-15(17-9-3-4-10-17)7-8-16-13-11-19-14-6-2-1-5-12(13)14/h1-2,5-6,13,16H,3-4,7-11H2
InChIKeyCLFGYNSFRYJEMD-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 107149638
3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43634310
3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103846439
1-[4-(2,3-dihydro-1-benzothiophen-3-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 81338934
2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
CID 113259968
N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine
CID 81302250
1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol
CID 81345434
1-[4-(2,3-dihydro-1-benzothiophene-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 71875440
2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide
CID 112673301
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81300282
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 81300721) is 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCNC1CSc2ccccc21)N1CCCC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is CLFGYNSFRYJEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-15(17-9-3-4-10-17)7-8-16-13-11-19-14-6-2-1-5-12(13)14/h1-2,5-6,13,16H,3-4,7-11H2.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 276.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 81300721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).