CID 174040265

C12H20BNOS — CID 174040265

IUPAC—
SMILES[B]C1CCCCCC2C1OC(=S)N2C(C)C
InChIInChI=1S/C12H20BNOS/c1-8(2)14-10-7-5-3-4-6-9(13)11(10)15-12(14)16/h8-11H,3-7H2,1-2H3
InChIKeyHSIOOKABGVCPHG-UHFFFAOYSA-N
MW237.18 g/mol
LogP2.67
Rot. Bonds1

About CID 174040265

CID 174040265 (PubChem CID 174040265) has the molecular formula C12H20BNOS and a molecular weight of 237.18 g/mol.

Molecular Properties

Compound NameCID 174040265
PubChem CID174040265
Molecular FormulaC12H20BNOS
Molecular Weight237.18 g/mol
Exact Mass237.14
IUPAC Name—
SMILES[B]C1CCCCCC2C1OC(=S)N2C(C)C
InChIInChI=1S/C12H20BNOS/c1-8(2)14-10-7-5-3-4-6-9(13)11(10)15-12(14)16/h8-11H,3-7H2,1-2H3
InChIKeyHSIOOKABGVCPHG-UHFFFAOYSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine
CID 167191433
11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane
CID 138727381
3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 67986591
ethane;8-methyl-8-azabicyclo[5.1.0]octane
CID 90889945
5,10-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenazine
CID 58400586
8-propan-2-yl-8-azabicyclo[5.2.0]nonane
CID 166687611
N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine
CID 166733275
3-cyclohexyl-1-propan-2-yl-4H-quinazoline-2-thione
CID 102310403
CID 174040303
CID 174040303
CID 174023912
CID 174023912
6-amino-6-methyl-3-(2-methylpropyl)-1-propan-2-yl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridine-2-thione
CID 166734008
2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine
CID 58170797

Frequently Asked Questions

What is the IUPAC name of CID 174040265?
The IUPAC name of CID 174040265 (CID 174040265) is not available.
What is the SMILES notation for CID 174040265?
The canonical SMILES for CID 174040265 is [B]C1CCCCCC2C1OC(=S)N2C(C)C.
What is the InChIKey of CID 174040265?
The InChIKey is HSIOOKABGVCPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BNOS/c1-8(2)14-10-7-5-3-4-6-9(13)11(10)15-12(14)16/h8-11H,3-7H2,1-2H3.
What are the key properties of CID 174040265?
CID 174040265 has a molecular weight of 237.18 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174040265 is sourced from PubChem (CID 174040265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).