(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol

C14H21N5O2S — CID 100730462

IUPAC(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)Cn2nnc(-c3ccsc3)n2)C[C@@H](C)O1
InChIInChI=1S/C14H21N5O2S/c1-10-5-18(6-11(2)21-10)7-13(20)8-19-16-14(15-17-19)12-3-4-22-9-12/h3-4,9-11,13,20H,5-8H2,1-2H3/t10-,11-,13-/m1/s1
InChIKeyLRRBZAOOCIKYLI-NQBHXWOUSA-N
MW323.42 g/mol
LogP0.87
Rot. Bonds5

About (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol

(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol (PubChem CID 100730462) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol
PubChem CID100730462
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)Cn2nnc(-c3ccsc3)n2)C[C@@H](C)O1
InChIInChI=1S/C14H21N5O2S/c1-10-5-18(6-11(2)21-10)7-13(20)8-19-16-14(15-17-19)12-3-4-22-9-12/h3-4,9-11,13,20H,5-8H2,1-2H3/t10-,11-,13-/m1/s1
InChIKeyLRRBZAOOCIKYLI-NQBHXWOUSA-N
XLogP0.87
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56799359
1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol
CID 56799360
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-(4-methylpiperidin-1-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56820200
(2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol
CID 125131294
3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
CID 95582439
(1S)-1-(3-chlorophenyl)-2-(5-thiophen-3-yltetrazol-2-yl)ethanol
CID 99838626
(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol
CID 100730597
2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one
CID 47556544
N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128184
5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one
CID 110017811
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7271909

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol (CID 100730462) is (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol is C[C@@H]1CN(C[C@@H](O)Cn2nnc(-c3ccsc3)n2)C[C@@H](C)O1.
What is the InChIKey of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol?
The InChIKey is LRRBZAOOCIKYLI-NQBHXWOUSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-10-5-18(6-11(2)21-10)7-13(20)8-19-16-14(15-17-19)12-3-4-22-9-12/h3-4,9-11,13,20H,5-8H2,1-2H3/t10-,11-,13-/m1/s1.
What are the key properties of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol?
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol has a molecular weight of 323.42 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-thiophen-3-yltetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 100730462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).