benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate

C19H30N2O3S — CID 97353162

IUPACbenzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate
SMILESCSC(C)(C)CN[C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C19H30N2O3S/c1-15(20-14-19(2,3)25-4)17-12-21(10-11-23-17)18(22)24-13-16-8-6-5-7-9-16/h5-9,15,17,20H,10-14H2,1-4H3/t15-,17-/m1/s1
InChIKeyDJDYINHLPRGZKJ-NVXWUHKLSA-N
MW366.53 g/mol
LogP3.14
Rot. Bonds7

About benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate

benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate (PubChem CID 97353162) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate
PubChem CID97353162
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Namebenzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate
SMILESCSC(C)(C)CN[C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C19H30N2O3S/c1-15(20-14-19(2,3)25-4)17-12-21(10-11-23-17)18(22)24-13-16-8-6-5-7-9-16/h5-9,15,17,20H,10-14H2,1-4H3/t15-,17-/m1/s1
InChIKeyDJDYINHLPRGZKJ-NVXWUHKLSA-N
XLogP3.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate
CID 97353124
benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate
CID 97353129
benzyl 2-(1-hydroxyethyl)morpholine-4-carboxylate
CID 18354365
benzyl (2S)-2-formylmorpholine-4-carboxylate
CID 118280798
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
CID 107254946
(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate
CID 86324765
benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate
CID 107254776
benzyl 2-[(5-methylheptan-3-ylamino)methyl]morpholine-4-carboxylate
CID 107254875
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl 2-(3-bromocyclobutyl)morpholine-4-carboxylate
CID 164545661

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate?
The IUPAC name of benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate (CID 97353162) is benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate is CSC(C)(C)CN[C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate?
The InChIKey is DJDYINHLPRGZKJ-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-15(20-14-19(2,3)25-4)17-12-21(10-11-23-17)18(22)24-13-16-8-6-5-7-9-16/h5-9,15,17,20H,10-14H2,1-4H3/t15-,17-/m1/s1.
What are the key properties of benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate?
benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate has a molecular weight of 366.53 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate is sourced from PubChem (CID 97353162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).