1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one

C14H16N2OS — CID 168671119

IUPAC1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CS)CN1Cc1cccc2cc[nH]c12
InChIInChI=1S/C14H16N2OS/c17-13-6-10(9-18)7-16(13)8-12-3-1-2-11-4-5-15-14(11)12/h1-5,10,15,18H,6-9H2
InChIKeyIUCDFUJWAWVDIL-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.45
Rot. Bonds3

About 1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one

1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168671119) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168671119
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CS)CN1Cc1cccc2cc[nH]c12
InChIInChI=1S/C14H16N2OS/c17-13-6-10(9-18)7-16(13)8-12-3-1-2-11-4-5-15-14(11)12/h1-5,10,15,18H,6-9H2
InChIKeyIUCDFUJWAWVDIL-UHFFFAOYSA-N
XLogP2.45
TPSA36.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1H-indol-7-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670983
(4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one
CID 93009561
4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one
CID 168501798
1-(1H-indol-5-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671071
1-(2-naphthalen-1-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671011
1-[(2-pyrrolidin-1-ylphenyl)methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671103
1-[(2,6-difluorophenyl)methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671051
1-[[2-(difluoromethoxy)phenyl]methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671108
1-[[4-(aminomethyl)phenyl]methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671137
1-[(2,5-dibromophenyl)methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671055
1-(2-isoquinolin-5-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670980
1-(quinolin-3-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671135

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168671119) is 1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one is O=C1CC(CS)CN1Cc1cccc2cc[nH]c12.
What is the InChIKey of 1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is IUCDFUJWAWVDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-13-6-10(9-18)7-16(13)8-12-3-1-2-11-4-5-15-14(11)12/h1-5,10,15,18H,6-9H2.
What are the key properties of 1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 260.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168671119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).