7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine

C15H23N3O2S2 — CID 56978369

IUPAC7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine
SMILESCCCC1NSc2cc(S(=O)(=O)N3CCCCC3)ccc2N1
InChIInChI=1S/C15H23N3O2S2/c1-2-6-15-16-13-8-7-12(11-14(13)21-17-15)22(19,20)18-9-4-3-5-10-18/h7-8,11,15-17H,2-6,9-10H2,1H3
InChIKeyGPYSBTAAKHDTTL-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.01
Rot. Bonds4

About 7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine

7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine (PubChem CID 56978369) has the molecular formula C15H23N3O2S2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine.

Molecular Properties

Compound Name7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine
PubChem CID56978369
Molecular FormulaC15H23N3O2S2
Molecular Weight341.50 g/mol
Exact Mass341.12
IUPAC Name7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine
SMILESCCCC1NSc2cc(S(=O)(=O)N3CCCCC3)ccc2N1
InChIInChI=1S/C15H23N3O2S2/c1-2-6-15-16-13-8-7-12(11-14(13)21-17-15)22(19,20)18-9-4-3-5-10-18/h7-8,11,15-17H,2-6,9-10H2,1H3
InChIKeyGPYSBTAAKHDTTL-UHFFFAOYSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-ium
CID 7768351
2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 110759488
(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
CID 106919079
7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20949437
4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid
CID 62206118
2-methyl-6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 22550140
3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one
CID 20927230
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
2-(azepane-1-carbonyl)-6-(4-ethylpiperazin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one
CID 53106058
4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine
CID 141065484
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine?
The IUPAC name of 7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine (CID 56978369) is 7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine.
What is the SMILES notation for 7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine?
The canonical SMILES for 7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine is CCCC1NSc2cc(S(=O)(=O)N3CCCCC3)ccc2N1.
What is the InChIKey of 7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine?
The InChIKey is GPYSBTAAKHDTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S2/c1-2-6-15-16-13-8-7-12(11-14(13)21-17-15)22(19,20)18-9-4-3-5-10-18/h7-8,11,15-17H,2-6,9-10H2,1H3.
What are the key properties of 7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine?
7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine has a molecular weight of 341.50 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine is sourced from PubChem (CID 56978369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).