(NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide

C19H19NOS — CID 134838001

IUPAC(NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19NOS/c1-19(2,3)22(21)20-13-18-16-10-6-4-8-14(16)12-15-9-5-7-11-17(15)18/h4-13H,1-3H3/b20-13+/t22-/m1/s1
InChIKeyOPNYMINAQYCWGO-WVWKGNOCSA-N
MW309.43 g/mol
LogP4.87
Rot. Bonds2

About (NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide

(NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide (PubChem CID 134838001) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is (NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide
PubChem CID134838001
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name(NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19NOS/c1-19(2,3)22(21)20-13-18-16-10-6-4-8-14(16)12-15-9-5-7-11-17(15)18/h4-13H,1-3H3/b20-13+/t22-/m1/s1
InChIKeyOPNYMINAQYCWGO-WVWKGNOCSA-N
XLogP4.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-Diazomethylanthracene
CID 3035201
N'-(Anthracen-9-ylmethylene)-4-methylbenzenesulfonohydrazide
CID 6876730
9-Anthracenecarboxaldehyde, oxime
CID 86646
9-Anthraldehyde, oxime
CID 5375740
N-[(E)-[10-[(E)-(dimethylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-N-methylmethanamine
CID 44365678
2-Naphthalenecarboxaldehyde, (2-naphthalenylmethylene)hydrazone
CID 9602920
1-Naphthalenecarboxaldehyde p-tosylhydrazone
CID 9603117
9-Anthraldehyde oxime, predominantly syn
CID 5355154
(NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide
CID 139185409
(E)-9-phenanthrenecarbaldehyde oxime
CID 14613796
Anthracen-9-ylmethanimine
CID 119230
1-Naphthaldehyde tosylhydrazone
CID 587714

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide (CID 134838001) is (NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of (NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is OPNYMINAQYCWGO-WVWKGNOCSA-N. The full InChI is InChI=1S/C19H19NOS/c1-19(2,3)22(21)20-13-18-16-10-6-4-8-14(16)12-15-9-5-7-11-17(15)18/h4-13H,1-3H3/b20-13+/t22-/m1/s1.
What are the key properties of (NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide?
(NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 309.43 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134838001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).