[4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride

C14H21ClN2O3S — CID 119330761

IUPAC[4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
SMILESCC1C(C)S(=O)(=O)CCN1C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-10-11(2)20(18,19)8-7-16(10)14(17)13-5-3-12(9-15)4-6-13;/h3-6,10-11H,7-9,15H2,1-2H3;1H
InChIKeyHYZIFRBUGWWIDS-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.21
Rot. Bonds2

About [4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride

[4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride (PubChem CID 119330761) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
PubChem CID119330761
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name[4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
SMILESCC1C(C)S(=O)(=O)CCN1C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-10-11(2)20(18,19)8-7-16(10)14(17)13-5-3-12(9-15)4-6-13;/h3-6,10-11H,7-9,15H2,1-2H3;1H
InChIKeyHYZIFRBUGWWIDS-UHFFFAOYSA-N
XLogP1.21
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride with MolForge

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Related Compounds

[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 119293249
(1,2-dimethylbenzimidazol-5-yl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 97074463
[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328198
[4-(2-aminoethyl)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883272
[4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328231
1-[4-(aminomethyl)benzoyl]-3-methylpiperidine-2-carboxylic acid
CID 107068830
[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone
CID 119345177
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119951836
1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 119305873
[4-(aminomethyl)phenyl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119320591
[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]-(2-methyl-4-nitrophenyl)methanone
CID 124568979

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride (CID 119330761) is [4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride is CC1C(C)S(=O)(=O)CCN1C(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
The InChIKey is HYZIFRBUGWWIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S.ClH/c1-10-11(2)20(18,19)8-7-16(10)14(17)13-5-3-12(9-15)4-6-13;/h3-6,10-11H,7-9,15H2,1-2H3;1H.
What are the key properties of [4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
[4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119330761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).