[4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride

C14H21ClN2OS — CID 119328217

IUPAC[4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(CN)cc2)CCS1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-14(2)10-16(7-8-18-14)13(17)12-5-3-11(9-15)4-6-12;/h3-6H,7-10,15H2,1-2H3;1H
InChIKeyXUBKVRKHPPVFDQ-UHFFFAOYSA-N
MW300.86 g/mol
LogP2.53
Rot. Bonds2

About [4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride

[4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride (PubChem CID 119328217) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride
PubChem CID119328217
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC Name[4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(CN)cc2)CCS1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-14(2)10-16(7-8-18-14)13(17)12-5-3-11(9-15)4-6-12;/h3-6H,7-10,15H2,1-2H3;1H
InChIKeyXUBKVRKHPPVFDQ-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride with MolForge

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Related Compounds

[4-(aminomethyl)phenyl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 119337424
[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 119335964
(2,2-dimethylthiomorpholin-4-yl)-[4-(triazol-1-yl)phenyl]methanone
CID 166188216
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
N-ethyl-2,2-dimethyl-N'-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 109487875
[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831579
(2,2-dimethylthiomorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115683387
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 107457765
[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328198
[4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403497
(2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 71923473
(2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 96570693

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride (CID 119328217) is [4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride is CC1(C)CN(C(=O)c2ccc(CN)cc2)CCS1.Cl.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride?
The InChIKey is XUBKVRKHPPVFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-14(2)10-16(7-8-18-14)13(17)12-5-3-11(9-15)4-6-12;/h3-6H,7-10,15H2,1-2H3;1H.
What are the key properties of [4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride?
[4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride has a molecular weight of 300.86 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119328217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).