N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide

C20H26BrNO3S — CID 67979386

IUPAC—
SMILESCC(C)(C)S(=O)N=C1c2cc(Br)ccc2CC12CCC1(CC2)OCCO1
InChIInChI=1S/C20H26BrNO3S/c1-18(2,3)26(23)22-17-16-12-15(21)5-4-14(16)13-19(17)6-8-20(9-7-19)24-10-11-25-20/h4-5,12H,6-11,13H2,1-3H3
InChIKeyRQVRJDXWIPXTCQ-UHFFFAOYSA-N
MW440.40 g/mol
LogP4.56
Rot. Bonds1

About N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide

N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 67979386) has the molecular formula C20H26BrNO3S and a molecular weight of 440.40 g/mol.

Molecular Properties

Compound NameN-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID67979386
Molecular FormulaC20H26BrNO3S
Molecular Weight440.40 g/mol
Exact Mass439.08
IUPAC Name—
SMILESCC(C)(C)S(=O)N=C1c2cc(Br)ccc2CC12CCC1(CC2)OCCO1
InChIInChI=1S/C20H26BrNO3S/c1-18(2,3)26(23)22-17-16-12-15(21)5-4-14(16)13-19(17)6-8-20(9-7-19)24-10-11-25-20/h4-5,12H,6-11,13H2,1-3H3
InChIKeyRQVRJDXWIPXTCQ-UHFFFAOYSA-N
XLogP4.56
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide (CID 67979386) is not available.
What is the SMILES notation for N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=C1c2cc(Br)ccc2CC12CCC1(CC2)OCCO1.
What is the InChIKey of N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is RQVRJDXWIPXTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrNO3S/c1-18(2,3)26(23)22-17-16-12-15(21)5-4-14(16)13-19(17)6-8-20(9-7-19)24-10-11-25-20/h4-5,12H,6-11,13H2,1-3H3.
What are the key properties of N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide?
N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 440.40 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67979386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).