(2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide

C14H19NO2S2 — CID 145385631

IUPAC(2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide
SMILESCC(C)C(O)[C@@]1(C(N)=O)SCC(c2ccccc2)S1
InChIInChI=1S/C14H19NO2S2/c1-9(2)12(16)14(13(15)17)18-8-11(19-14)10-6-4-3-5-7-10/h3-7,9,11-12,16H,8H2,1-2H3,(H2,15,17)/t11?,12?,14-/m1/s1
InChIKeyTVUPBJZXIWMMSI-ORHYLEIMSA-N
MW297.44 g/mol
LogP2.41
Rot. Bonds4

About (2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide

(2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide (PubChem CID 145385631) has the molecular formula C14H19NO2S2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide
PubChem CID145385631
Molecular FormulaC14H19NO2S2
Molecular Weight297.44 g/mol
Exact Mass297.09
IUPAC Name(2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide
SMILESCC(C)C(O)[C@@]1(C(N)=O)SCC(c2ccccc2)S1
InChIInChI=1S/C14H19NO2S2/c1-9(2)12(16)14(13(15)17)18-8-11(19-14)10-6-4-3-5-7-10/h3-7,9,11-12,16H,8H2,1-2H3,(H2,15,17)/t11?,12?,14-/m1/s1
InChIKeyTVUPBJZXIWMMSI-ORHYLEIMSA-N
XLogP2.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide 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

4-(4-Butylphenyl)sulfanyl-3-hydroxy-4-methylpentanamide
CID 11842911
3-Hydroxy-4-methyl-4-(4-methylphenyl)sulfanylpentanamide
CID 11843224
3-Acetyl-2-benzylsulfanylthiolane-2-carboxamide
CID 134929233
5-Benzylsulfanyl-2-(benzylsulfanylmethyl)-4-hydroxy-5-methylhexanamide
CID 19378120
3-Benzylsulfanyl-2-hydroxy-3-methylbutanamide
CID 139930593
(2S)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide
CID 145385602
(2S)-3-hydroxy-2,5-dimethyl-2-(2-phenyl-2-sulfanylethyl)sulfanylhexanamide
CID 145385619
(2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide
CID 145385646
(2R)-4-phenyl-2-(2-propan-2-yl-1,3-dioxolan-2-yl)-1,3-dithiolane-2-carboxamide
CID 145385656
6,8-Bis(benzylsulfanyl)-3-deuterio-3-hydroxyoctanamide
CID 169316134
2-(3-Hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide
CID 111463895
(2E)-4-hydroxy-N-methoxy-N-methyl-2-(1-phenylethylidene)thiolane-3-carboxamide
CID 177496907

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide?
The IUPAC name of (2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide (CID 145385631) is (2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide.
What is the SMILES notation for (2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide?
The canonical SMILES for (2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide is CC(C)C(O)[C@@]1(C(N)=O)SCC(c2ccccc2)S1.
What is the InChIKey of (2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide?
The InChIKey is TVUPBJZXIWMMSI-ORHYLEIMSA-N. The full InChI is InChI=1S/C14H19NO2S2/c1-9(2)12(16)14(13(15)17)18-8-11(19-14)10-6-4-3-5-7-10/h3-7,9,11-12,16H,8H2,1-2H3,(H2,15,17)/t11?,12?,14-/m1/s1.
What are the key properties of (2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide?
(2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide is sourced from PubChem (CID 145385631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).