N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide

C15H23NO4S2 — CID 95144968

IUPACN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1C
InChIInChI=1S/C15H23NO4S2/c1-10-7-11(2)13(4)15(12(10)3)22(19,20)16-8-14-5-6-21(17,18)9-14/h7,14,16H,5-6,8-9H2,1-4H3/t14-/m1/s1
InChIKeySNCITIWZPVVQDA-CQSZACIVSA-N
MW345.49 g/mol
LogP1.63
Rot. Bonds4

About N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 95144968) has the molecular formula C15H23NO4S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID95144968
Molecular FormulaC15H23NO4S2
Molecular Weight345.49 g/mol
Exact Mass345.11
IUPAC NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1C
InChIInChI=1S/C15H23NO4S2/c1-10-7-11(2)13(4)15(12(10)3)22(19,20)16-8-14-5-6-21(17,18)9-14/h7,14,16H,5-6,8-9H2,1-4H3/t14-/m1/s1
InChIKeySNCITIWZPVVQDA-CQSZACIVSA-N
XLogP1.63
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide 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

2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2,3,5,6-tetramethylphenyl)sulfonylacetamide
CID 95305897
5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 47171265
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 61127648
N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 103270305
2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide
CID 52858023
ethyl 4-[[(3R)-1,1-dioxothiolan-3-yl]methylsulfamoyl]benzoate
CID 52512736
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145464
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 62133818
(3S)-1,1-dioxo-N'-(2,3,5,6-tetramethylphenyl)sulfonylthiolane-3-carbohydrazide
CID 8843843
1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane
CID 86706430
3-amino-2-bromo-5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzenesulfonamide
CID 62955842
N-[(1,1-dioxothiolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106016768

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 95144968) is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1C.
What is the InChIKey of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is SNCITIWZPVVQDA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO4S2/c1-10-7-11(2)13(4)15(12(10)3)22(19,20)16-8-14-5-6-21(17,18)9-14/h7,14,16H,5-6,8-9H2,1-4H3/t14-/m1/s1.
What are the key properties of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 345.49 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 95144968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).