1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol

C16H29N3O2S — CID 111440114

IUPAC1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol
SMILESCC(C)c1cnc(SCC(O)CN2CCOCC2)n1C(C)C
InChIInChI=1S/C16H29N3O2S/c1-12(2)15-9-17-16(19(15)13(3)4)22-11-14(20)10-18-5-7-21-8-6-18/h9,12-14,20H,5-8,10-11H2,1-4H3
InChIKeyKQABLKGADHJWGN-UHFFFAOYSA-N
MW327.49 g/mol
LogP2.37
Rot. Bonds7

About 1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol

1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol (PubChem CID 111440114) has the molecular formula C16H29N3O2S and a molecular weight of 327.49 g/mol. Its IUPAC name is 1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol
PubChem CID111440114
Molecular FormulaC16H29N3O2S
Molecular Weight327.49 g/mol
Exact Mass327.20
IUPAC Name1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol
SMILESCC(C)c1cnc(SCC(O)CN2CCOCC2)n1C(C)C
InChIInChI=1S/C16H29N3O2S/c1-12(2)15-9-17-16(19(15)13(3)4)22-11-14(20)10-18-5-7-21-8-6-18/h9,12-14,20H,5-8,10-11H2,1-4H3
InChIKeyKQABLKGADHJWGN-UHFFFAOYSA-N
XLogP2.37
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol (CID 111440114) is 1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol is CC(C)c1cnc(SCC(O)CN2CCOCC2)n1C(C)C.
What is the InChIKey of 1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol?
The InChIKey is KQABLKGADHJWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S/c1-12(2)15-9-17-16(19(15)13(3)4)22-11-14(20)10-18-5-7-21-8-6-18/h9,12-14,20H,5-8,10-11H2,1-4H3.
What are the key properties of 1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol?
1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol has a molecular weight of 327.49 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5-di(propan-2-yl)imidazol-2-yl]sulfanyl-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111440114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).