1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C12H22N4O2S — CID 105416586

IUPAC1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCN(C)C1(CNCC(O)COc2cnsn2)CCC1
InChIInChI=1S/C12H22N4O2S/c1-16(2)12(4-3-5-12)9-13-6-10(17)8-18-11-7-14-19-15-11/h7,10,13,17H,3-6,8-9H2,1-2H3
InChIKeyILENRXGBJYANKA-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.35
Rot. Bonds8

About 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 105416586) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID105416586
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCN(C)C1(CNCC(O)COc2cnsn2)CCC1
InChIInChI=1S/C12H22N4O2S/c1-16(2)12(4-3-5-12)9-13-6-10(17)8-18-11-7-14-19-15-11/h7,10,13,17H,3-6,8-9H2,1-2H3
InChIKeyILENRXGBJYANKA-UHFFFAOYSA-N
XLogP0.35
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol with MolForge

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Related Compounds

1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 114099960
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
1-(2-cyclopentylethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54932742
1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 62522058
1-(cyclopentylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904172
1-(2-ethylhexylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107820071
1-(2-butoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 61171244
1-[(2,6-dimethylpiperidin-1-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83021124
1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60897023
3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106130149
1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60909284

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 105416586) is 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is CN(C)C1(CNCC(O)COc2cnsn2)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is ILENRXGBJYANKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-16(2)12(4-3-5-12)9-13-6-10(17)8-18-11-7-14-19-15-11/h7,10,13,17H,3-6,8-9H2,1-2H3.
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 286.40 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 105416586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).