N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide

C10H9NO2S — CID 10512518

IUPACN-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide
SMILESO=C=NS(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C10H9NO2S/c12-7-11-14(13)10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3H2
InChIKeyBPRRKSWEYDZLJC-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.53
Rot. Bonds2

About N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide

N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide (PubChem CID 10512518) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide.

Molecular Properties

Compound NameN-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide
PubChem CID10512518
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC NameN-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide
SMILESO=C=NS(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C10H9NO2S/c12-7-11-14(13)10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3H2
InChIKeyBPRRKSWEYDZLJC-UHFFFAOYSA-N
XLogP1.53
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide?
The IUPAC name of N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide (CID 10512518) is N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide.
What is the SMILES notation for N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide?
The canonical SMILES for N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide is O=C=NS(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide?
The InChIKey is BPRRKSWEYDZLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-7-11-14(13)10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3H2.
What are the key properties of N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide?
N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide has a molecular weight of 207.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide is sourced from PubChem (CID 10512518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).