(2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine

C20H19NPS+ — CID 139167382

IUPAC(2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine
SMILESC[C@]1(N)Sc2ccccc2[P+]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NPS/c1-20(21)22(16-10-4-2-5-11-16,17-12-6-3-7-13-17)18-14-8-9-15-19(18)23-20/h2-15H,21H2,1H3/q+1/t20-/m1/s1
InChIKeyOZROVWFKNBJHMI-HXUWFJFHSA-N
MW336.42 g/mol
LogP3.72
Rot. Bonds2

About (2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine

(2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine (PubChem CID 139167382) has the molecular formula C20H19NPS+ and a molecular weight of 336.42 g/mol. Its IUPAC name is (2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine.

Molecular Properties

Compound Name(2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine
PubChem CID139167382
Molecular FormulaC20H19NPS+
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name(2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine
SMILESC[C@]1(N)Sc2ccccc2[P+]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NPS/c1-20(21)22(16-10-4-2-5-11-16,17-12-6-3-7-13-17)18-14-8-9-15-19(18)23-20/h2-15H,21H2,1H3/q+1/t20-/m1/s1
InChIKeyOZROVWFKNBJHMI-HXUWFJFHSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine 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

1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium
CID 5111887
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 118483877
1,1,3,3-tetraphenyl-2H-1,3-benzodiphosphole-1,3-diium diiodide
CID 139150100
carbanylium;ethane;2,2'-spirobi[1,3-benzodithiole]
CID 158405402
2,2-dimethyl-4,5-dihydro-3H-1,5-benzothiazepin-3-amine
CID 90037239
2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium
CID 12525360
1,2-dimethyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-4,6,8,10,12,14,16,18-octaene
CID 101191828
(3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium
CID 23413587
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
3,3-dimethyl-1,2-benzothiazol-2-amine
CID 166904749
spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine
CID 83907444
(3R)-3-amino-3-methyl-1,2-dihydroisoquinoline-4-thione
CID 143260160

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine?
The IUPAC name of (2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine (CID 139167382) is (2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine.
What is the SMILES notation for (2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine?
The canonical SMILES for (2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine is C[C@]1(N)Sc2ccccc2[P+]1(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine?
The InChIKey is OZROVWFKNBJHMI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19NPS/c1-20(21)22(16-10-4-2-5-11-16,17-12-6-3-7-13-17)18-14-8-9-15-19(18)23-20/h2-15H,21H2,1H3/q+1/t20-/m1/s1.
What are the key properties of (2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine?
(2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine has a molecular weight of 336.42 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3,3-diphenyl-1,3-benzothiaphosphol-3-ium-2-amine is sourced from PubChem (CID 139167382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).