6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one

C19H25N3O2S — CID 167804187

IUPAC6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2N1
InChIInChI=1S/C19H25N3O2S/c23-18-13-25-17-7-6-14(12-16(17)20-18)19(24)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,20,23)
InChIKeyYUHABKNIMDQUBU-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.82
Rot. Bonds2

About 6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one

6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one (PubChem CID 167804187) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one
PubChem CID167804187
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2N1
InChIInChI=1S/C19H25N3O2S/c23-18-13-25-17-7-6-14(12-16(17)20-18)19(24)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,20,23)
InChIKeyYUHABKNIMDQUBU-UHFFFAOYSA-N
XLogP2.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 38390238
6-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 42408045
1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-4-carboxamide
CID 110764904
1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide
CID 4842542
6-(4-propanoyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzothiazin-3-one
CID 110805820
N-methyl-N-[1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidin-4-yl]acetamide
CID 48734831
6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 61411079
6-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 17424020
N-(2-aminoethyl)-1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide
CID 119479299
cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7239139
6-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 27782413
N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712276

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one (CID 167804187) is 6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one is O=C1CSc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2N1.
What is the InChIKey of 6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one?
The InChIKey is YUHABKNIMDQUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c23-18-13-25-17-7-6-14(12-16(17)20-18)19(24)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,20,23).
What are the key properties of 6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one?
6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one has a molecular weight of 359.50 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 167804187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).