N-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine

C14H17NS — CID 154648144

IUPACN-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESC=CSNc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C14H17NS/c1-2-16-15-14-12-7-3-5-10(12)9-11-6-4-8-13(11)14/h2,9,15H,1,3-8H2
InChIKeyPCTFSYOLHRGVJU-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.87
Rot. Bonds3

About N-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine

N-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine (PubChem CID 154648144) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine.

Molecular Properties

Compound NameN-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
PubChem CID154648144
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESC=CSNc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C14H17NS/c1-2-16-15-14-12-7-3-5-10(12)9-11-6-4-8-13(11)14/h2,9,15H,1,3-8H2
InChIKeyPCTFSYOLHRGVJU-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 174088147
CID 174088147
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea
CID 146515062
1-(1-ethenylpiperidin-4-yl)sulfanyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 166854784
S-cyclobutylthiohydroxylamine;1,2,3,5,6,7-hexahydro-s-indacen-4-ylurea
CID 154660432
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-3-oxopropanoic acid
CID 162650421
1,2,3,5,6,7-hexahydro-s-indacen-4-ylurea;S-(1-methylcyclopropyl)thiohydroxylamine
CID 154660315
ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 145387694
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-N-methylacetamide
CID 162654807
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide
CID 154997378
2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
CID 170565054
S-(2,3-dihydro-1H-inden-2-yl)thiohydroxylamine;1,2,3,5,6,7-hexahydro-s-indacen-4-ylurea
CID 154660326
1-(amino-methyl-oxo-λ6-sulfanylidene)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146603514

Frequently Asked Questions

What is the IUPAC name of N-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The IUPAC name of N-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine (CID 154648144) is N-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine.
What is the SMILES notation for N-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The canonical SMILES for N-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine is C=CSNc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of N-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The InChIKey is PCTFSYOLHRGVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-2-16-15-14-12-7-3-5-10(12)9-11-6-4-8-13(11)14/h2,9,15H,1,3-8H2.
What are the key properties of N-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
N-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine has a molecular weight of 231.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylsulfanyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine is sourced from PubChem (CID 154648144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).