5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole

C11H12N2O2S — CID 89272280

IUPAC5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole
SMILESO=S(O)NC/C=C/c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H12N2O2S/c14-16(15)13-6-1-2-9-3-4-11-10(8-9)5-7-12-11/h1-5,7-8,12-13H,6H2,(H,14,15)/b2-1+
InChIKeyQEXXKWPCNWOAAB-OWOJBTEDSA-N
MW236.30 g/mol
LogP1.91
Rot. Bonds4

About 5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole

5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole (PubChem CID 89272280) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole.

Molecular Properties

Compound Name5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole
PubChem CID89272280
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole
SMILESO=S(O)NC/C=C/c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H12N2O2S/c14-16(15)13-6-1-2-9-3-4-11-10(8-9)5-7-12-11/h1-5,7-8,12-13H,6H2,(H,14,15)/b2-1+
InChIKeyQEXXKWPCNWOAAB-OWOJBTEDSA-N
XLogP1.91
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1H-indol-5-yl)prop-2-en-1-amine
CID 117276942
N-[4-(1H-indol-5-yl)but-3-enyl]acetamide
CID 170488817
S-[3-(1H-indol-5-yl)prop-2-enyl] ethanethioate
CID 169457351
5-(4-bromobut-1-enyl)-1H-indole
CID 170497591
4-(1H-indol-5-yl)but-3-en-1-amine
CID 170487084
5-[(Z)-2-chloroethenyl]-1H-indole
CID 145444556
5-(3-azidoprop-1-enyl)-1H-indole
CID 169461878
5-(2-nitroethenyl)-1H-indole
CID 54465016
5-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole
CID 135043581
2-(1H-indol-5-yl)-N-methylethenesulfonamide
CID 54193929
5-(2-pyridin-4-ylethenyl)-1H-indole
CID 54050993
benzyl N-[4-(1H-indol-5-yl)but-3-enyl]carbamate
CID 170494186

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole?
The IUPAC name of 5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole (CID 89272280) is 5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole.
What is the SMILES notation for 5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole?
The canonical SMILES for 5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole is O=S(O)NC/C=C/c1ccc2[nH]ccc2c1.
What is the InChIKey of 5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole?
The InChIKey is QEXXKWPCNWOAAB-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-16(15)13-6-1-2-9-3-4-11-10(8-9)5-7-12-11/h1-5,7-8,12-13H,6H2,(H,14,15)/b2-1+.
What are the key properties of 5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole?
5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole has a molecular weight of 236.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole is sourced from PubChem (CID 89272280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).