4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide

C12H17NO4S2 — CID 110721477

IUPAC4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(CS(=O)(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C12H17NO4S2/c1-11-2-4-12(5-3-11)10-19(16,17)13-6-8-18(14,15)9-7-13/h2-5H,6-10H2,1H3
InChIKeyMVCMJAUUYGBKFG-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.56
Rot. Bonds3

About 4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide

4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 110721477) has the molecular formula C12H17NO4S2 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide
PubChem CID110721477
Molecular FormulaC12H17NO4S2
Molecular Weight303.40 g/mol
Exact Mass303.06
IUPAC Name4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(CS(=O)(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C12H17NO4S2/c1-11-2-4-12(5-3-11)10-19(16,17)13-6-8-18(14,15)9-7-13/h2-5H,6-10H2,1H3
InChIKeyMVCMJAUUYGBKFG-UHFFFAOYSA-N
XLogP0.56
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
CID 110819072
3-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110749809
4-[(4-methylphenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide
CID 110811156
1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine
CID 110871226
N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine
CID 110868419
2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871849
(3,4-dimethylphenyl)-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365094
4-[(4-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
CID 110637841
[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805309
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721448
2-ethyl-4-methyl-6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]pyrimidine
CID 46969861
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55913303

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide (CID 110721477) is 4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide is Cc1ccc(CS(=O)(=O)N2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is MVCMJAUUYGBKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-11-2-4-12(5-3-11)10-19(16,17)13-6-8-18(14,15)9-7-13/h2-5H,6-10H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide?
4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 303.40 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 110721477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).