N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C14H20N2O4S2 — CID 25234292

IUPACN-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(c1)N(S(C)(=O)=O)CCS2
InChIInChI=1S/C14H20N2O4S2/c1-20-8-3-6-15-14(17)11-4-5-13-12(10-11)16(7-9-21-13)22(2,18)19/h4-5,10H,3,6-9H2,1-2H3,(H,15,17)
InChIKeyXTQDWXHRDDIKJJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.32
Rot. Bonds6

About N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 25234292) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID25234292
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC NameN-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(c1)N(S(C)(=O)=O)CCS2
InChIInChI=1S/C14H20N2O4S2/c1-20-8-3-6-15-14(17)11-4-5-13-12(10-11)16(7-9-21-13)22(2,18)19/h4-5,10H,3,6-9H2,1-2H3,(H,15,17)
InChIKeyXTQDWXHRDDIKJJ-UHFFFAOYSA-N
XLogP1.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(benzenesulfonyl)-N-(3-methoxypropyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 25234222
4-ethyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876387
N-[3-(2-methoxyethoxy)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55407812
1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide
CID 53160481
(2S)-N-(3-methoxypropyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452577
N-(3-methoxypropyl)-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5233304
3-(3-methoxypropyl)-1-methyl-1-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]thiourea
CID 9365663
6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine
CID 91662295
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876365
1-methylsulfonyl-N-(3-phenylmethoxypropyl)-2,3-dihydroindole-5-carboxamide
CID 41365829
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086
N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119406138

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 25234292) is N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is COCCCNC(=O)c1ccc2c(c1)N(S(C)(=O)=O)CCS2.
What is the InChIKey of N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is XTQDWXHRDDIKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-20-8-3-6-15-14(17)11-4-5-13-12(10-11)16(7-9-21-13)22(2,18)19/h4-5,10H,3,6-9H2,1-2H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 25234292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).