(3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine

C19H23NO4S2 — CID 20897824

IUPAC(3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine
SMILESCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccccc2)cc1
InChIInChI=1S/C19H23NO4S2/c1-15-7-9-17(10-8-15)26(23,24)19-14-25(21,22)13-18(19)20-12-11-16-5-3-2-4-6-16/h2-10,18-20H,11-14H2,1H3/t18-,19-/m0/s1
InChIKeyAJYHCOBCGZJMBY-OALUTQOASA-N
MW393.53 g/mol
LogP1.77
Rot. Bonds6

About (3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine

(3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine (PubChem CID 20897824) has the molecular formula C19H23NO4S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine
PubChem CID20897824
Molecular FormulaC19H23NO4S2
Molecular Weight393.53 g/mol
Exact Mass393.11
IUPAC Name(3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine
SMILESCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccccc2)cc1
InChIInChI=1S/C19H23NO4S2/c1-15-7-9-17(10-8-15)26(23,24)19-14-25(21,22)13-18(19)20-12-11-16-5-3-2-4-6-16/h2-10,18-20H,11-14H2,1H3/t18-,19-/m0/s1
InChIKeyAJYHCOBCGZJMBY-OALUTQOASA-N
XLogP1.77
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine?
The IUPAC name of (3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine (CID 20897824) is (3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine.
What is the SMILES notation for (3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine?
The canonical SMILES for (3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine is Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccccc2)cc1.
What is the InChIKey of (3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine?
The InChIKey is AJYHCOBCGZJMBY-OALUTQOASA-N. The full InChI is InChI=1S/C19H23NO4S2/c1-15-7-9-17(10-8-15)26(23,24)19-14-25(21,22)13-18(19)20-12-11-16-5-3-2-4-6-16/h2-10,18-20H,11-14H2,1H3/t18-,19-/m0/s1.
What are the key properties of (3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine?
(3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine has a molecular weight of 393.53 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine is sourced from PubChem (CID 20897824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).