(2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol

C9H14ClN3O3S — CID 11448848

IUPAC(2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
SMILESO[C@H](CCl)COc1nsnc1N1CCOCC1
InChIInChI=1S/C9H14ClN3O3S/c10-5-7(14)6-16-9-8(11-17-12-9)13-1-3-15-4-2-13/h7,14H,1-6H2/t7-/m1/s1
InChIKeyDDMMUKVUEJQEPV-SSDOTTSWSA-N
MW279.75 g/mol
LogP0.35
Rot. Bonds5

About (2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol

(2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol (PubChem CID 11448848) has the molecular formula C9H14ClN3O3S and a molecular weight of 279.75 g/mol. Its IUPAC name is (2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
PubChem CID11448848
Molecular FormulaC9H14ClN3O3S
Molecular Weight279.75 g/mol
Exact Mass279.04
IUPAC Name(2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
SMILESO[C@H](CCl)COc1nsnc1N1CCOCC1
InChIInChI=1S/C9H14ClN3O3S/c10-5-7(14)6-16-9-8(11-17-12-9)13-1-3-15-4-2-13/h7,14H,1-6H2/t7-/m1/s1
InChIKeyDDMMUKVUEJQEPV-SSDOTTSWSA-N
XLogP0.35
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 18984519
(2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 76968009
(2R)-2-deuterio-1-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 52917136
methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
CID 666373
(1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol
CID 122538515
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 42613761
N-tert-butyl-2-methyl-N-[(2S)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine
CID 153317924
2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine
CID 126710401
(2S)-1-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-3-[[4-(2,2,6,6-tetradeuteriomorpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-2-ol
CID 52917514
(2S)-1-[(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)amino]-3-[[4-(3,3,5,5-tetradeuteriomorpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-2-ol
CID 58222759
N-[2,3-bis[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-2-methylpropan-2-amine;but-2-enedioic acid
CID 171370713
4-(4-benzhydryloxy-1,2,5-thiadiazol-3-yl)morpholine
CID 43949546

Frequently Asked Questions

What is the IUPAC name of (2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol?
The IUPAC name of (2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol (CID 11448848) is (2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol.
What is the SMILES notation for (2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol?
The canonical SMILES for (2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol is O[C@H](CCl)COc1nsnc1N1CCOCC1.
What is the InChIKey of (2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol?
The InChIKey is DDMMUKVUEJQEPV-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14ClN3O3S/c10-5-7(14)6-16-9-8(11-17-12-9)13-1-3-15-4-2-13/h7,14H,1-6H2/t7-/m1/s1.
What are the key properties of (2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol?
(2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol has a molecular weight of 279.75 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol is sourced from PubChem (CID 11448848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).