N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride

C16H24ClN3O2S — CID 119665475

IUPACN-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CN1C(=O)CSc2ccccc21.Cl
InChIInChI=1S/C16H23N3O2S.ClH/c1-2-3-6-12(9-17)18-15(20)10-19-13-7-4-5-8-14(13)22-11-16(19)21;/h4-5,7-8,12H,2-3,6,9-11,17H2,1H3,(H,18,20);1H
InChIKeyPUFCVOGWQHNIBH-UHFFFAOYSA-N
MW357.91 g/mol
LogP2.18
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride

N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride (PubChem CID 119665475) has the molecular formula C16H24ClN3O2S and a molecular weight of 357.91 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
PubChem CID119665475
Molecular FormulaC16H24ClN3O2S
Molecular Weight357.91 g/mol
Exact Mass357.13
IUPAC NameN-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CN1C(=O)CSc2ccccc21.Cl
InChIInChI=1S/C16H23N3O2S.ClH/c1-2-3-6-12(9-17)18-15(20)10-19-13-7-4-5-8-14(13)22-11-16(19)21;/h4-5,7-8,12H,2-3,6,9-11,17H2,1H3,(H,18,20);1H
InChIKeyPUFCVOGWQHNIBH-UHFFFAOYSA-N
XLogP2.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 119585948
N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 120508487
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673616
N-butan-2-yl-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propanamide
CID 71936370
N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119430219
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30997351
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 18196027
2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide
CID 18162798
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55961677
N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide
CID 119666357
N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18131651

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride (CID 119665475) is N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride is CCCCC(CN)NC(=O)CN1C(=O)CSc2ccccc21.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
The InChIKey is PUFCVOGWQHNIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S.ClH/c1-2-3-6-12(9-17)18-15(20)10-19-13-7-4-5-8-14(13)22-11-16(19)21;/h4-5,7-8,12H,2-3,6,9-11,17H2,1H3,(H,18,20);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride has a molecular weight of 357.91 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119665475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).