CID 146610656

C21H24N3O2S2- — CID 146610656

IUPAC—
SMILESCN1CCc2cc(/[S-](=O)=N/C(=O)Nc3c4c(cc5c3CCC5)CCC4)sc2C1
InChIInChI=1S/C21H24N3O2S2/c1-24-9-8-15-11-19(27-18(15)12-24)28(26)23-21(25)22-20-16-6-2-4-13(16)10-14-5-3-7-17(14)20/h10-11H,2-9,12H2,1H3,(H,22,25)/q-1
InChIKeyVTTZYYJANGZMCY-UHFFFAOYSA-N
MW414.58 g/mol
LogP4.45
Rot. Bonds2

About CID 146610656

CID 146610656 (PubChem CID 146610656) has the molecular formula C21H24N3O2S2- and a molecular weight of 414.58 g/mol.

Molecular Properties

Compound NameCID 146610656
PubChem CID146610656
Molecular FormulaC21H24N3O2S2-
Molecular Weight414.58 g/mol
Exact Mass414.13
IUPAC Name—
SMILESCN1CCc2cc(/[S-](=O)=N/C(=O)Nc3c4c(cc5c3CCC5)CCC4)sc2C1
InChIInChI=1S/C21H24N3O2S2/c1-24-9-8-15-11-19(27-18(15)12-24)28(26)23-21(25)22-20-16-6-2-4-13(16)10-14-5-3-7-17(14)20/h10-11H,2-9,12H2,1H3,(H,22,25)/q-1
InChIKeyVTTZYYJANGZMCY-UHFFFAOYSA-N
XLogP4.45
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

(R)-[[amino-(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-oxo-λ6-sulfanylidene]amino]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)methanol
CID 146610986
CID 137453163
CID 137453163
CID 146611191
CID 146611191
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-sulfinylurea
CID 146515062
CID 168751064
CID 168751064
1-(amino-methyl-oxo-λ6-sulfanylidene)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146603514
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylazepan-4-yl)sulfinylurea
CID 137403189
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]urea
CID 146394383
CID 175947001
CID 175947001
1-[amino-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146611208
(1E)-1-[dimethylamino-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]-λ4-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142522894
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)sulfinylamino]urea
CID 163788167

Frequently Asked Questions

What is the IUPAC name of CID 146610656?
The IUPAC name of CID 146610656 (CID 146610656) is not available.
What is the SMILES notation for CID 146610656?
The canonical SMILES for CID 146610656 is CN1CCc2cc(/[S-](=O)=N/C(=O)Nc3c4c(cc5c3CCC5)CCC4)sc2C1.
What is the InChIKey of CID 146610656?
The InChIKey is VTTZYYJANGZMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N3O2S2/c1-24-9-8-15-11-19(27-18(15)12-24)28(26)23-21(25)22-20-16-6-2-4-13(16)10-14-5-3-7-17(14)20/h10-11H,2-9,12H2,1H3,(H,22,25)/q-1.
What are the key properties of CID 146610656?
CID 146610656 has a molecular weight of 414.58 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146610656 is sourced from PubChem (CID 146610656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).