1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol

C13H26N2O2S — CID 80600493

IUPAC1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCCCS1)CN1CCOCC1
InChIInChI=1S/C13H26N2O2S/c16-12(11-15-4-6-17-7-5-15)9-14-10-13-3-1-2-8-18-13/h12-14,16H,1-11H2
InChIKeyUHAGGQDFQQTFFG-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.55
Rot. Bonds6

About 1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol

1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol (PubChem CID 80600493) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol
PubChem CID80600493
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCCCS1)CN1CCOCC1
InChIInChI=1S/C13H26N2O2S/c16-12(11-15-4-6-17-7-5-15)9-14-10-13-3-1-2-8-18-13/h12-14,16H,1-11H2
InChIKeyUHAGGQDFQQTFFG-UHFFFAOYSA-N
XLogP0.55
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80584749
1-morpholin-4-yl-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295723
1-(3-methylbutylamino)-3-morpholin-4-ylpropan-2-ol
CID 60665903
2-methyl-N-(thian-2-ylmethyl)propan-1-amine
CID 80593621
2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclohexan-1-ol
CID 62360030
2-amino-3-(thian-2-ylmethylamino)propanoic acid
CID 80612859
(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol
CID 106932334
1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine
CID 80600576
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
1-(2-methylprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574800
1-(2-chloroprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574804
1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol
CID 60665958

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol (CID 80600493) is 1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol is OC(CNCC1CCCCS1)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol?
The InChIKey is UHAGGQDFQQTFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c16-12(11-15-4-6-17-7-5-15)9-14-10-13-3-1-2-8-18-13/h12-14,16H,1-11H2.
What are the key properties of 1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol?
1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol has a molecular weight of 274.43 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 80600493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).