5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole

C16H18N2O2S2 — CID 110316037

IUPAC5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1cccs1)N1CCc2cc(N3CCCC3)ccc21
InChIInChI=1S/C16H18N2O2S2/c19-22(20,16-4-3-11-21-16)18-10-7-13-12-14(5-6-15(13)18)17-8-1-2-9-17/h3-6,11-12H,1-2,7-10H2
InChIKeyTXDBBTXRIOODPU-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.10
Rot. Bonds3

About 5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole

5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole (PubChem CID 110316037) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
PubChem CID110316037
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC Name5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1cccs1)N1CCc2cc(N3CCCC3)ccc21
InChIInChI=1S/C16H18N2O2S2/c19-22(20,16-4-3-11-21-16)18-10-7-13-12-14(5-6-15(13)18)17-8-1-2-9-17/h3-6,11-12H,1-2,7-10H2
InChIKeyTXDBBTXRIOODPU-UHFFFAOYSA-N
XLogP3.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide
CID 110634468
1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole
CID 110316058
1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine
CID 53072000
N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110316065
1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole
CID 110316048
1-(5-ethylthiophen-2-yl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315939
3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27546036
3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 7657771
2,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 43955914
3,5-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831226
1-thiophen-2-ylsulfonylpiperidine
CID 765823

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole?
The IUPAC name of 5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole (CID 110316037) is 5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole is O=S(=O)(c1cccs1)N1CCc2cc(N3CCCC3)ccc21.
What is the InChIKey of 5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole?
The InChIKey is TXDBBTXRIOODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c19-22(20,16-4-3-11-21-16)18-10-7-13-12-14(5-6-15(13)18)17-8-1-2-9-17/h3-6,11-12H,1-2,7-10H2.
What are the key properties of 5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole?
5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole has a molecular weight of 334.47 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 110316037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).