(R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide

C14H18N2O3S — CID 71078806

IUPAC(R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C1CCCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C14H18N2O3S/c1-14(2,3)20(19)15-13-6-4-5-10-7-8-11(16(17)18)9-12(10)13/h7-9H,4-6H2,1-3H3/t20-/m1/s1
InChIKeyAITNAEUXKXGRIW-HXUWFJFHSA-N
MW294.38 g/mol
LogP3.18
Rot. Bonds2

About (R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide

(R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide (PubChem CID 71078806) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide
PubChem CID71078806
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C1CCCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C14H18N2O3S/c1-14(2,3)20(19)15-13-6-4-5-10-7-8-11(16(17)18)9-12(10)13/h7-9H,4-6H2,1-3H3/t20-/m1/s1
InChIKeyAITNAEUXKXGRIW-HXUWFJFHSA-N
XLogP3.18
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 67979348
(NE,R)-2-methyl-N-(6-nitro-2-phenyl-2,3-dihydrochromen-4-ylidene)propane-2-sulfinamide
CID 89253733
2-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)acetonitrile
CID 57116290
3-nitro-9,10-dihydrophenanthrene
CID 614448
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline
CID 5379027
(NE,S)-N-[1-(2-fluoro-5-nitrophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 59250642
1,1-dimethyl-2-(3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-yl)hydrazine
CID 117062478
(NE,R)-2-methyl-N-[(4-nitrophenyl)methylidene]propane-2-sulfinamide
CID 11207533
7-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 91017574
4,4-dimethyl-7-nitro-2,3-dihydro-1H-naphthalene
CID 13463290
(R)-N-[1-(2-fluoro-5-nitrophenyl)propylidene]-2-methylpropane-2-sulfinamide
CID 123291135
2,6-dinitro-9H-fluorene
CID 3582885

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide (CID 71078806) is (R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide is CC(C)(C)[S@@](=O)N=C1CCCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of (R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide?
The InChIKey is AITNAEUXKXGRIW-HXUWFJFHSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-14(2,3)20(19)15-13-6-4-5-10-7-8-11(16(17)18)9-12(10)13/h7-9H,4-6H2,1-3H3/t20-/m1/s1.
What are the key properties of (R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide?
(R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide has a molecular weight of 294.38 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide is sourced from PubChem (CID 71078806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).