[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol

C33H35NO2S — CID 15347764

IUPAC[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol
SMILESCN(C)C(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35NO2S/c1-31(2)35-29(32(34(3)4,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(36-31)33(37,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-30,37H,1-4H3/t29-,30-/m1/s1
InChIKeyDXHZCZMGSRBNDC-LOYHVIPDSA-N
MW509.72 g/mol
LogP6.89
Rot. Bonds7

About [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol

[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol (PubChem CID 15347764) has the molecular formula C33H35NO2S and a molecular weight of 509.72 g/mol. Its IUPAC name is [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol.

Molecular Properties

Compound Name[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol
PubChem CID15347764
Molecular FormulaC33H35NO2S
Molecular Weight509.72 g/mol
Exact Mass509.24
IUPAC Name[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol
SMILESCN(C)C(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35NO2S/c1-31(2)35-29(32(34(3)4,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(36-31)33(37,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-30,37H,1-4H3/t29-,30-/m1/s1
InChIKeyDXHZCZMGSRBNDC-LOYHVIPDSA-N
XLogP6.89
TPSA21.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.72
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol 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-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine
CID 10874665
[(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
CID 11081091
[(2S,3S,6S,10S)-6,10-dibenzyl-3-[[methyl-bis[(4-methylphenyl)methyl]azaniumyl]methyl]-1,4-dioxaspiro[4.5]decan-2-yl]methyl-methyl-bis[(4-methylphenyl)methyl]azanium
CID 11845873
lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide
CID 14963853
1-[(4S,5R)-5-[chloro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine
CID 15347763
(5S)-5-[(R)-(dibenzylamino)-phenylmethyl]-4,4-dimethyl-1,3-dioxolan-2-one
CID 50901273
[(2R,3R)-6,10-dibenzyl-3-[[methyl-bis[(4-methylphenyl)methyl]azaniumyl]methyl]-1,4-dioxaspiro[4.5]decan-2-yl]methyl-methyl-bis[(4-methylphenyl)methyl]azanium
CID 44629850
[(4R,5R)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
CID 101711296
[5-[Amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
CID 85391771
[(2S,3S)-3-[amino(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanamine
CID 164145388
N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine
CID 3821208
(1R)-N-benzyl-1-[(4S,5S)-5-[(1R)-1-(benzylamino)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine
CID 10529990

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol?
The IUPAC name of [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol (CID 15347764) is [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol.
What is the SMILES notation for [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol?
The canonical SMILES for [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol is CN(C)C(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(S)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol?
The InChIKey is DXHZCZMGSRBNDC-LOYHVIPDSA-N. The full InChI is InChI=1S/C33H35NO2S/c1-31(2)35-29(32(34(3)4,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(36-31)33(37,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-30,37H,1-4H3/t29-,30-/m1/s1.
What are the key properties of [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol?
[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol has a molecular weight of 509.72 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol is sourced from PubChem (CID 15347764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).