N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride

C17H24ClN3O2S — CID 119609714

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C17H23N3O2S.ClH/c18-9-12-5-1-2-6-13(12)19-16(21)10-20-14-7-3-4-8-15(14)23-11-17(20)22;/h3-4,7-8,12-13H,1-2,5-6,9-11,18H2,(H,19,21);1H
InChIKeyJNVCIBKSEFKZNK-UHFFFAOYSA-N
MW369.92 g/mol
LogP2.18
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride (PubChem CID 119609714) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
PubChem CID119609714
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C17H23N3O2S.ClH/c18-9-12-5-1-2-6-13(12)19-16(21)10-20-14-7-3-4-8-15(14)23-11-17(20)22;/h3-4,7-8,12-13H,1-2,5-6,9-11,18H2,(H,19,21);1H
InChIKeyJNVCIBKSEFKZNK-UHFFFAOYSA-N
XLogP2.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9273025
N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 97083828
N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 120508487
N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
CID 119610481
4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 119466724
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 95632580
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18115280
N-[2-(aminomethyl)cyclohexyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide;hydrochloride
CID 119610899
N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119610019
N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 27667405
3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580056
N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119665475

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride (CID 119609714) is N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)CN1C(=O)CSc2ccccc21.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
The InChIKey is JNVCIBKSEFKZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.ClH/c18-9-12-5-1-2-6-13(12)19-16(21)10-20-14-7-3-4-8-15(14)23-11-17(20)22;/h3-4,7-8,12-13H,1-2,5-6,9-11,18H2,(H,19,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119609714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).