N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide

C14H20N2O4S2 — CID 110721530

IUPACN,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCS(=O)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N2O4S2/c1-11-4-5-12(10-13(11)22(19,20)15(2)3)14(17)16-6-8-21(18)9-7-16/h4-5,10H,6-9H2,1-3H3
InChIKeyTWFQDQQFICJYNN-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.45
Rot. Bonds3

About N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide

N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide (PubChem CID 110721530) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
PubChem CID110721530
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC NameN,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCS(=O)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N2O4S2/c1-11-4-5-12(10-13(11)22(19,20)15(2)3)14(17)16-6-8-21(18)9-7-16/h4-5,10H,6-9H2,1-3H3
InChIKeyTWFQDQQFICJYNN-UHFFFAOYSA-N
XLogP0.45
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate
CID 110295888
N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110292445
(3-amino-4-methylphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54976973
5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide
CID 110646920
5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide
CID 26500757
N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 55849954
5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide
CID 110740641
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-N,N,2-trimethylbenzenesulfonamide
CID 110312395
2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17027735
3,4-dimethyl-N-[4-(1-oxo-1,4-thiazinane-4-carbonyl)phenyl]benzenesulfonamide
CID 56535834
N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563375
2-bromo-N,N-dimethyl-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78769697

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide?
The IUPAC name of N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide (CID 110721530) is N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide is Cc1ccc(C(=O)N2CCS(=O)CC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide?
The InChIKey is TWFQDQQFICJYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-11-4-5-12(10-13(11)22(19,20)15(2)3)14(17)16-6-8-21(18)9-7-16/h4-5,10H,6-9H2,1-3H3.
What are the key properties of N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide?
N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide has a molecular weight of 344.46 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 110721530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).