N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide

C15H23NO2S3 — CID 95975392

IUPACN-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC[C@H]2CSCCS2)c1C
InChIInChI=1S/C15H23NO2S3/c1-10-7-11(2)13(4)15(12(10)3)21(17,18)16-8-14-9-19-5-6-20-14/h7,14,16H,5-6,8-9H2,1-4H3/t14-/m0/s1
InChIKeyJYZMNGQIHPFEKP-AWEZNQCLSA-N
MW345.56 g/mol
LogP3.05
Rot. Bonds4

About N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 95975392) has the molecular formula C15H23NO2S3 and a molecular weight of 345.56 g/mol. Its IUPAC name is N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID95975392
Molecular FormulaC15H23NO2S3
Molecular Weight345.56 g/mol
Exact Mass345.09
IUPAC NameN-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC[C@H]2CSCCS2)c1C
InChIInChI=1S/C15H23NO2S3/c1-10-7-11(2)13(4)15(12(10)3)21(17,18)16-8-14-9-19-5-6-20-14/h7,14,16H,5-6,8-9H2,1-4H3/t14-/m0/s1
InChIKeyJYZMNGQIHPFEKP-AWEZNQCLSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide
CID 106078465
3-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106078424
2-[(sulfamoylamino)methyl]-1,4-dithiane
CID 115688641
N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide
CID 115685195
4-(1,4-dithian-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 104654759
2,5-dibromo-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 113253321
4-bromo-2-chloro-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 113253324
5-[(cyclopropylamino)methyl]-N-(1,4-dithian-2-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 106078485
N-(1,4-dithian-2-ylmethyl)-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106078480
2-chloro-N-(1,4-dithian-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106078391
N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 7937592
N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 103270305

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 95975392) is N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H]2CSCCS2)c1C.
What is the InChIKey of N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is JYZMNGQIHPFEKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO2S3/c1-10-7-11(2)13(4)15(12(10)3)21(17,18)16-8-14-9-19-5-6-20-14/h7,14,16H,5-6,8-9H2,1-4H3/t14-/m0/s1.
What are the key properties of N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 345.56 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 95975392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).