N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride

C17H26ClN3O4S — CID 119668157

IUPACN-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-4-5-6-13(10-18)19-16(21)12-7-8-14-15(9-12)25(23,24)20(11(2)3)17(14)22;/h7-9,11,13H,4-6,10,18H2,1-3H3,(H,19,21);1H
InChIKeyNCVTZEKOYQGDBC-UHFFFAOYSA-N
MW403.93 g/mol
LogP1.91
Rot. Bonds7

About N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride (PubChem CID 119668157) has the molecular formula C17H26ClN3O4S and a molecular weight of 403.93 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride
PubChem CID119668157
Molecular FormulaC17H26ClN3O4S
Molecular Weight403.93 g/mol
Exact Mass403.13
IUPAC NameN-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-4-5-6-13(10-18)19-16(21)12-7-8-14-15(9-12)25(23,24)20(11(2)3)17(14)22;/h7-9,11,13H,4-6,10,18H2,1-3H3,(H,19,21);1H
InChIKeyNCVTZEKOYQGDBC-UHFFFAOYSA-N
XLogP1.91
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 119385002
N-[(2R)-2-(ethylamino)propyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride
CID 120652306
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119261378
N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride
CID 119599882
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 55876661
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119588040
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride (CID 119668157) is N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride?
The InChIKey is NCVTZEKOYQGDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S.ClH/c1-4-5-6-13(10-18)19-16(21)12-7-8-14-15(9-12)25(23,24)20(11(2)3)17(14)22;/h7-9,11,13H,4-6,10,18H2,1-3H3,(H,19,21);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride has a molecular weight of 403.93 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide;hydrochloride is sourced from PubChem (CID 119668157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).