6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride

C14H20ClN3O3S2 — CID 155823361

IUPAC6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)N3CCNCC3)ccc21.Cl
InChIInChI=1S/C14H19N3O3S2.ClH/c1-2-7-17-12-4-3-11(10-13(12)21-14(17)18)22(19,20)16-8-5-15-6-9-16;/h3-4,10,15H,2,5-9H2,1H3;1H
InChIKeyOQIWZXCBSIESBT-UHFFFAOYSA-N
MW377.92 g/mol
LogP1.49
Rot. Bonds4

About 6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride

6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride (PubChem CID 155823361) has the molecular formula C14H20ClN3O3S2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride.

Molecular Properties

Compound Name6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride
PubChem CID155823361
Molecular FormulaC14H20ClN3O3S2
Molecular Weight377.92 g/mol
Exact Mass377.06
IUPAC Name6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)N3CCNCC3)ccc21.Cl
InChIInChI=1S/C14H19N3O3S2.ClH/c1-2-7-17-12-4-3-11(10-13(12)21-14(17)18)22(19,20)16-8-5-15-6-9-16;/h3-4,10,15H,2,5-9H2,1H3;1H
InChIKeyOQIWZXCBSIESBT-UHFFFAOYSA-N
XLogP1.49
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3-propyl-1,3-benzothiazol-2-one
CID 53075128
N-(4-methylcyclohexyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106361
6-[4-[(2R)-2-phenoxypropanoyl]piperazin-1-yl]sulfonyl-3-propyl-1,3-benzothiazol-2-one
CID 95086875
N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106373
6-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-3-propyl-1,3-benzothiazol-2-one
CID 53112853
6-[4-[3-(2-chlorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-3-propyl-1,3-benzothiazol-2-one
CID 71843396
N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106366
N-(4-methoxyphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106320
N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106318
N-[[(2S)-oxolan-2-yl]methyl]-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 95085367
N-(3-acetylphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106352
N-(3-methylsulfanylphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106354

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride?
The IUPAC name of 6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride (CID 155823361) is 6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride.
What is the SMILES notation for 6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride?
The canonical SMILES for 6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride is CCCn1c(=O)sc2cc(S(=O)(=O)N3CCNCC3)ccc21.Cl.
What is the InChIKey of 6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride?
The InChIKey is OQIWZXCBSIESBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2.ClH/c1-2-7-17-12-4-3-11(10-13(12)21-14(17)18)22(19,20)16-8-5-15-6-9-16;/h3-4,10,15H,2,5-9H2,1H3;1H.
What are the key properties of 6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride?
6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-ylsulfonyl-3-propyl-1,3-benzothiazol-2-one;hydrochloride is sourced from PubChem (CID 155823361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).