N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride

C16H24ClN3O3S — CID 154888710

IUPACN-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride
SMILESCl.N[C@@H]1CC[C@@H](NC(=O)c2ccccc2N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C16H23N3O3S.ClH/c17-12-5-6-13(11-12)18-16(20)14-3-1-2-4-15(14)19-7-9-23(21,22)10-8-19;/h1-4,12-13H,5-11,17H2,(H,18,20);1H/t12-,13-;/m1./s1
InChIKeyZJIJZHSAZREWDX-OJERSXHUSA-N
MW373.91 g/mol
LogP0.95
Rot. Bonds3

About N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride

N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride (PubChem CID 154888710) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride
PubChem CID154888710
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride
SMILESCl.N[C@@H]1CC[C@@H](NC(=O)c2ccccc2N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C16H23N3O3S.ClH/c17-12-5-6-13(11-12)18-16(20)14-3-1-2-4-15(14)19-7-9-23(21,22)10-8-19;/h1-4,12-13H,5-11,17H2,(H,18,20);1H/t12-,13-;/m1./s1
InChIKeyZJIJZHSAZREWDX-OJERSXHUSA-N
XLogP0.95
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;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

2-(4-aminopiperidin-1-yl)-N-cyclopropylbenzamide
CID 42656462
N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide
CID 91766122
N-[(1R,3R)-3-aminocyclopentyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
CID 56748106
N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
CID 56751740
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]benzamide;hydrochloride
CID 154897174
N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156012
N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide
CID 115272862
N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 119478823
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
N-cyclopropyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038566

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride (CID 154888710) is N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride is Cl.N[C@@H]1CC[C@@H](NC(=O)c2ccccc2N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride?
The InChIKey is ZJIJZHSAZREWDX-OJERSXHUSA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c17-12-5-6-13(11-12)18-16(20)14-3-1-2-4-15(14)19-7-9-23(21,22)10-8-19;/h1-4,12-13H,5-11,17H2,(H,18,20);1H/t12-,13-;/m1./s1.
What are the key properties of N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride?
N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 154888710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).