(2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride

C14H26Cl2N2O2S — CID 161196284

IUPAC(2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride
SMILESCl.Cl.N[C@H](Cc1ccccc1)[C@@H](O)CN1CCOCC1.S
InChIInChI=1S/C14H22N2O2.2ClH.H2S/c15-13(10-12-4-2-1-3-5-12)14(17)11-16-6-8-18-9-7-16;;;/h1-5,13-14,17H,6-11,15H2;2*1H;1H2/t13-,14+;;;/m1.../s1
InChIKeyRLIDCMTZZRODQT-IEJPZSQASA-N
MW357.35 g/mol
LogP1.21
Rot. Bonds5

About (2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride

(2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride (PubChem CID 161196284) has the molecular formula C14H26Cl2N2O2S and a molecular weight of 357.35 g/mol. Its IUPAC name is (2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride.

Molecular Properties

Compound Name(2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride
PubChem CID161196284
Molecular FormulaC14H26Cl2N2O2S
Molecular Weight357.35 g/mol
Exact Mass356.11
IUPAC Name(2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride
SMILESCl.Cl.N[C@H](Cc1ccccc1)[C@@H](O)CN1CCOCC1.S
InChIInChI=1S/C14H22N2O2.2ClH.H2S/c15-13(10-12-4-2-1-3-5-12)14(17)11-16-6-8-18-9-7-16;;;/h1-5,13-14,17H,6-11,15H2;2*1H;1H2/t13-,14+;;;/m1.../s1
InChIKeyRLIDCMTZZRODQT-IEJPZSQASA-N
XLogP1.21
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 143402490
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;methane;sulfane;dihydrochloride
CID 158132619
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride
CID 15947124
3-amino-4-phenyl-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butan-2-ol
CID 166105707
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol
CID 22351223
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
CID 15947125
2-amino-N-(2-methyl-3-morpholin-4-ylpropyl)-3-phenylpropanamide;dihydrochloride
CID 119868997
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine
CID 142041187
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride
CID 120565520
(2R,3S)-3-amino-1-[(4R)-4-methyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-4-phenylbutan-2-ol
CID 58255718

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride?
The IUPAC name of (2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride (CID 161196284) is (2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride.
What is the SMILES notation for (2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride?
The canonical SMILES for (2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride is Cl.Cl.N[C@H](Cc1ccccc1)[C@@H](O)CN1CCOCC1.S.
What is the InChIKey of (2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride?
The InChIKey is RLIDCMTZZRODQT-IEJPZSQASA-N. The full InChI is InChI=1S/C14H22N2O2.2ClH.H2S/c15-13(10-12-4-2-1-3-5-12)14(17)11-16-6-8-18-9-7-16;;;/h1-5,13-14,17H,6-11,15H2;2*1H;1H2/t13-,14+;;;/m1.../s1.
What are the key properties of (2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride?
(2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride has a molecular weight of 357.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride is sourced from PubChem (CID 161196284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).