(NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide

C15H17NOS — CID 12996091

IUPAC(NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C15H17NOS/c1-15(2,3)18(17)16-11-12-8-9-13-6-4-5-7-14(13)10-12/h4-11H,1-3H3/b16-11+/t18-/m1/s1
InChIKeyUBZWVPBSFYHVOS-QIPHDZALSA-N
MW259.37 g/mol
LogP3.72
Rot. Bonds2

About (NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide

(NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide (PubChem CID 12996091) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is (NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide
PubChem CID12996091
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name(NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C15H17NOS/c1-15(2,3)18(17)16-11-12-8-9-13-6-4-5-7-14(13)10-12/h4-11H,1-3H3/b16-11+/t18-/m1/s1
InChIKeyUBZWVPBSFYHVOS-QIPHDZALSA-N
XLogP3.72
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Naphthaldehyde oxime
CID 9563142
2-Naphthalenecarboxaldehyde, oxime
CID 592789
N-(1-Naphthylmethylidene)methylamine
CID 10464721
N'-(2,4-Dimethylbenzylidene)benzenesulfonohydrazide
CID 6908569
(NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide
CID 139185409
Naphthalene, 2-t-butyliminomethyl-
CID 607259
(NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide
CID 134838001
1-naphthalen-2-yl-N-prop-2-enylmethanimine
CID 10899541
(E)-N-methoxy-1-naphthalen-2-ylmethanimine
CID 11116730
(E)-N-methoxy-1-naphthalen-1-ylmethanimine
CID 12142166
2-(Diazomethyl)naphthalene
CID 12456005
(R,E)-2-Methyl-N-(naphthalen-1-ylmethylene)propane-2-sulfinamide
CID 23657050

Frequently Asked Questions

What is the IUPAC name of (NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide?
The IUPAC name of (NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide (CID 12996091) is (NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide.
What is the SMILES notation for (NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide?
The canonical SMILES for (NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/c1ccc2ccccc2c1.
What is the InChIKey of (NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide?
The InChIKey is UBZWVPBSFYHVOS-QIPHDZALSA-N. The full InChI is InChI=1S/C15H17NOS/c1-15(2,3)18(17)16-11-12-8-9-13-6-4-5-7-14(13)10-12/h4-11H,1-3H3/b16-11+/t18-/m1/s1.
What are the key properties of (NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide?
(NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide has a molecular weight of 259.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide is sourced from PubChem (CID 12996091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).