1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one

C16H19ClN2OS — CID 93423385

IUPAC1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
SMILESC[C@H](CN1CCCC1=O)NCc1sc2ccccc2c1Cl
InChIInChI=1S/C16H19ClN2OS/c1-11(10-19-8-4-7-15(19)20)18-9-14-16(17)12-5-2-3-6-13(12)21-14/h2-3,5-6,11,18H,4,7-10H2,1H3/t11-/m1/s1
InChIKeyDVYBBRXKJVFAEZ-LLVKDONJSA-N
MW322.86 g/mol
LogP3.66
Rot. Bonds5

About 1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one

1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 93423385) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
PubChem CID93423385
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
SMILESC[C@H](CN1CCCC1=O)NCc1sc2ccccc2c1Cl
InChIInChI=1S/C16H19ClN2OS/c1-11(10-19-8-4-7-15(19)20)18-9-14-16(17)12-5-2-3-6-13(12)21-14/h2-3,5-6,11,18H,4,7-10H2,1H3/t11-/m1/s1
InChIKeyDVYBBRXKJVFAEZ-LLVKDONJSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 60535154
1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 80700350
N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine
CID 63477967
1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 54977127
1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 94184899
1-[(2S)-2-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 94195068
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-methylpentan-2-amine
CID 63453706
1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 103675388
1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 60936413
1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 62758526
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 66399198
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one (CID 93423385) is 1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one is C[C@H](CN1CCCC1=O)NCc1sc2ccccc2c1Cl.
What is the InChIKey of 1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is DVYBBRXKJVFAEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-11(10-19-8-4-7-15(19)20)18-9-14-16(17)12-5-2-3-6-13(12)21-14/h2-3,5-6,11,18H,4,7-10H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one?
1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 322.86 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 93423385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).