[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride

C17H25ClN2O2S — CID 120793631

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride
SMILESCc1ccc(C2CSCCN2C(=O)[C@@H]2CC[C@H](CN)O2)cc1.Cl
InChIInChI=1S/C17H24N2O2S.ClH/c1-12-2-4-13(5-3-12)15-11-22-9-8-19(15)17(20)16-7-6-14(10-18)21-16;/h2-5,14-16H,6-11,18H2,1H3;1H/t14-,15?,16+;/m1./s1
InChIKeyJFEQGVUXJDEIJY-ZXWVXOCDSA-N
MW356.92 g/mol
LogP2.54
Rot. Bonds3

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride (PubChem CID 120793631) has the molecular formula C17H25ClN2O2S and a molecular weight of 356.92 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride
PubChem CID120793631
Molecular FormulaC17H25ClN2O2S
Molecular Weight356.92 g/mol
Exact Mass356.13
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride
SMILESCc1ccc(C2CSCCN2C(=O)[C@@H]2CC[C@H](CN)O2)cc1.Cl
InChIInChI=1S/C17H24N2O2S.ClH/c1-12-2-4-13(5-3-12)15-11-22-9-8-19(15)17(20)16-7-6-14(10-18)21-16;/h2-5,14-16H,6-11,18H2,1H3;1H/t14-,15?,16+;/m1./s1
InChIKeyJFEQGVUXJDEIJY-ZXWVXOCDSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride with MolForge

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120785269
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 120785176
2-[3-(4-methylphenyl)thiomorpholin-4-yl]acetic acid
CID 119135595
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 120793803
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 120784182
2-amino-1-(3-phenylthiomorpholin-4-yl)ethanone;hydrochloride
CID 119281363
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 120784052
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 120793074
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-tert-butylpyrrolidin-1-yl)methanone;hydrochloride
CID 120791887
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120788095
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone;hydrochloride
CID 120793633

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride (CID 120793631) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride is Cc1ccc(C2CSCCN2C(=O)[C@@H]2CC[C@H](CN)O2)cc1.Cl.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride?
The InChIKey is JFEQGVUXJDEIJY-ZXWVXOCDSA-N. The full InChI is InChI=1S/C17H24N2O2S.ClH/c1-12-2-4-13(5-3-12)15-11-22-9-8-19(15)17(20)16-7-6-14(10-18)21-16;/h2-5,14-16H,6-11,18H2,1H3;1H/t14-,15?,16+;/m1./s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride has a molecular weight of 356.92 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120793631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).