N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide

C15H18N2O3S — CID 154997378

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide
SMILESC=C(C(=O)Nc1c2c(cc3c1CCC3)CCC2)S(N)(=O)=O
InChIInChI=1S/C15H18N2O3S/c1-9(21(16,19)20)15(18)17-14-12-6-2-4-10(12)8-11-5-3-7-13(11)14/h8H,1-7H2,(H,17,18)(H2,16,19,20)
InChIKeyAVQUCGWRWHJVJE-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.40
Rot. Bonds3

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

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide (PubChem CID 154997378) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide
PubChem CID154997378
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide
SMILESC=C(C(=O)Nc1c2c(cc3c1CCC3)CCC2)S(N)(=O)=O
InChIInChI=1S/C15H18N2O3S/c1-9(21(16,19)20)15(18)17-14-12-6-2-4-10(12)8-11-5-3-7-13(11)14/h8H,1-7H2,(H,17,18)(H2,16,19,20)
InChIKeyAVQUCGWRWHJVJE-UHFFFAOYSA-N
XLogP1.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 174088147
CID 174088147
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CID 146603514
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-4-sulfamoylpiperidine-1-carboxamide
CID 166542156
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-3-oxopropanoic acid
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N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide
CID 159213474
methyl 1-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)prop-2-enylsulfonyl]pyrrole-3-carboxylate
CID 134189008
4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)butanamide
CID 142529569
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylsulfonylurea
CID 130356216
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea
CID 146515062
1-(4,6-dimethylpyrimidin-5-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155076553
1-[amino-[3-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146570547
1-(cyclopropylmethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide (CID 154997378) is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide is C=C(C(=O)Nc1c2c(cc3c1CCC3)CCC2)S(N)(=O)=O.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide?
The InChIKey is AVQUCGWRWHJVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9(21(16,19)20)15(18)17-14-12-6-2-4-10(12)8-11-5-3-7-13(11)14/h8H,1-7H2,(H,17,18)(H2,16,19,20).
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide?
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide has a molecular weight of 306.39 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide is sourced from PubChem (CID 154997378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).