(2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol

C12H18ClNO2S — CID 100751408

IUPAC(2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol
SMILESC[C@H](O)C[C@@H]1COCCN1Cc1sccc1Cl
InChIInChI=1S/C12H18ClNO2S/c1-9(15)6-10-8-16-4-3-14(10)7-12-11(13)2-5-17-12/h2,5,9-10,15H,3-4,6-8H2,1H3/t9-,10+/m0/s1
InChIKeyDHRDWQYWYPJKNU-VHSXEESVSA-N
MW275.80 g/mol
LogP2.37
Rot. Bonds4

About (2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol

(2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol (PubChem CID 100751408) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is (2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol
PubChem CID100751408
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name(2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol
SMILESC[C@H](O)C[C@@H]1COCCN1Cc1sccc1Cl
InChIInChI=1S/C12H18ClNO2S/c1-9(15)6-10-8-16-4-3-14(10)7-12-11(13)2-5-17-12/h2,5,9-10,15H,3-4,6-8H2,1H3/t9-,10+/m0/s1
InChIKeyDHRDWQYWYPJKNU-VHSXEESVSA-N
XLogP2.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol (CID 100751408) is (2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol is C[C@H](O)C[C@@H]1COCCN1Cc1sccc1Cl.
What is the InChIKey of (2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol?
The InChIKey is DHRDWQYWYPJKNU-VHSXEESVSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-9(15)6-10-8-16-4-3-14(10)7-12-11(13)2-5-17-12/h2,5,9-10,15H,3-4,6-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol?
(2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol has a molecular weight of 275.80 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-4-[(3-chlorothiophen-2-yl)methyl]morpholin-3-yl]propan-2-ol is sourced from PubChem (CID 100751408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).