(R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide

C13H16BrNOS2 — CID 71078808

IUPAC(R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C1CCSc2ccc(Br)cc21
InChIInChI=1S/C13H16BrNOS2/c1-13(2,3)18(16)15-11-6-7-17-12-5-4-9(14)8-10(11)12/h4-5,8H,6-7H2,1-3H3/t18-/m1/s1
InChIKeyPOKCKDZLDKFZSS-GOSISDBHSA-N
MW346.32 g/mol
LogP4.20
Rot. Bonds1

About (R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide

(R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 71078808) has the molecular formula C13H16BrNOS2 and a molecular weight of 346.32 g/mol. Its IUPAC name is (R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID71078808
Molecular FormulaC13H16BrNOS2
Molecular Weight346.32 g/mol
Exact Mass344.99
IUPAC Name(R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C1CCSc2ccc(Br)cc21
InChIInChI=1S/C13H16BrNOS2/c1-13(2,3)18(16)15-11-6-7-17-12-5-4-9(14)8-10(11)12/h4-5,8H,6-7H2,1-3H3/t18-/m1/s1
InChIKeyPOKCKDZLDKFZSS-GOSISDBHSA-N
XLogP4.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
CID 71078736
(NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 89253723
N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 67979348
(NE)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)hydroxylamine
CID 88720010
N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide
CID 149164710
(NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 166499695
N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 166499804
N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide
CID 67979386
(NZ)-N-(4-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
CID 129225428
(S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide
CID 124566539
[(6-methyl-2,3-dihydrothiochromen-4-ylidene)amino] cyclopropanecarboxylate
CID 1482825
(NE)-N-[(2S)-6-bromo-2-[(2R,4R)-2,4-dimethylhexyl]-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide
CID 144584305

Frequently Asked Questions

What is the IUPAC name of (R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide (CID 71078808) is (R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=C1CCSc2ccc(Br)cc21.
What is the InChIKey of (R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is POKCKDZLDKFZSS-GOSISDBHSA-N. The full InChI is InChI=1S/C13H16BrNOS2/c1-13(2,3)18(16)15-11-6-7-17-12-5-4-9(14)8-10(11)12/h4-5,8H,6-7H2,1-3H3/t18-/m1/s1.
What are the key properties of (R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide?
(R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 346.32 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 71078808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).