1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea

C13H14N2O2S — CID 146515062

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea
SMILESO=S=NC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C13H14N2O2S/c16-13(15-18-17)14-12-10-5-1-3-8(10)7-9-4-2-6-11(9)12/h7H,1-6H2,(H,14,16)
InChIKeyDIRUSRMLNWDUAJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.59
Rot. Bonds1

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea (PubChem CID 146515062) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea
PubChem CID146515062
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea
SMILESO=S=NC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C13H14N2O2S/c16-13(15-18-17)14-12-10-5-1-3-8(10)7-9-4-2-6-11(9)12/h7H,1-6H2,(H,14,16)
InChIKeyDIRUSRMLNWDUAJ-UHFFFAOYSA-N
XLogP2.59
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea
CID 137453041
1-(amino-methyl-oxo-λ6-sulfanylidene)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146603514
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-3-oxopropanoic acid
CID 162650421
CID 174088147
CID 174088147
S-cyclobutylthiohydroxylamine;1,2,3,5,6,7-hexahydro-s-indacen-4-ylurea
CID 154660432
1,2,3,5,6,7-hexahydro-s-indacen-4-ylurea;S-(1-methylcyclopropyl)thiohydroxylamine
CID 154660315
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide
CID 154997378
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-N-methylacetamide
CID 162654807
1-[amino-[3-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146570547
1-[amino-oxo-(2-propan-2-yl-1,5-dihydropyrazol-5-yl)-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146610602
1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylimino-[4-(2-hydroxypropan-2-yl)-5-methylfuran-2-yl]sulfanium
CID 163789145
(2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)butanedioic acid
CID 146503701

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea (CID 146515062) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea is O=S=NC(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea?
The InChIKey is DIRUSRMLNWDUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-13(15-18-17)14-12-10-5-1-3-8(10)7-9-4-2-6-11(9)12/h7H,1-6H2,(H,14,16).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea has a molecular weight of 262.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea is sourced from PubChem (CID 146515062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).