3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol

C12H25NO2S — CID 66115449

IUPAC3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol
SMILESCC(C)CN1CCOC(CSCCCO)C1
InChIInChI=1S/C12H25NO2S/c1-11(2)8-13-4-6-15-12(9-13)10-16-7-3-5-14/h11-12,14H,3-10H2,1-2H3
InChIKeyJIKADYITGMZCIT-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.46
Rot. Bonds7

About 3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol

3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol (PubChem CID 66115449) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol
PubChem CID66115449
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol
SMILESCC(C)CN1CCOC(CSCCCO)C1
InChIInChI=1S/C12H25NO2S/c1-11(2)8-13-4-6-15-12(9-13)10-16-7-3-5-14/h11-12,14H,3-10H2,1-2H3
InChIKeyJIKADYITGMZCIT-UHFFFAOYSA-N
XLogP1.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol
CID 79182447
2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine
CID 66290127
2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine
CID 66218624
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol
CID 54911442
4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine
CID 79172249
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol
CID 112689933
2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine
CID 79171551
[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
2-[(3,5-dimethylpiperazin-1-yl)methyl]-4-(2-methylpropyl)morpholine
CID 63871997
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]butanoic acid
CID 113236052

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol?
The IUPAC name of 3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol (CID 66115449) is 3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol is CC(C)CN1CCOC(CSCCCO)C1.
What is the InChIKey of 3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol?
The InChIKey is JIKADYITGMZCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-11(2)8-13-4-6-15-12(9-13)10-16-7-3-5-14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol?
3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol has a molecular weight of 247.40 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol is sourced from PubChem (CID 66115449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).