1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C12H21N3O3S — CID 62522058

IUPAC1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOCC1(NCC(O)COc2cnsn2)CCCCC1
InChIInChI=1S/C12H21N3O3S/c16-9-12(4-2-1-3-5-12)13-6-10(17)8-18-11-7-14-19-15-11/h7,10,13,16-17H,1-6,8-9H2
InChIKeyPZMLAXNPCOFFLS-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.56
Rot. Bonds7

About 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 62522058) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID62522058
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOCC1(NCC(O)COc2cnsn2)CCCCC1
InChIInChI=1S/C12H21N3O3S/c16-9-12(4-2-1-3-5-12)13-6-10(17)8-18-11-7-14-19-15-11/h7,10,13,16-17H,1-6,8-9H2
InChIKeyPZMLAXNPCOFFLS-UHFFFAOYSA-N
XLogP0.56
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol with MolForge

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Related Compounds

1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 62553532
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 105416586
1-(cyclopentylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904172
1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 114099960
1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81396146
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161
1-(2-cyclopentylethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54932742
2-[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]-3-methylbutan-1-ol
CID 79249568
1-[(2,6-dimethylpiperidin-1-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83021124
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60897023
1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898042

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 62522058) is 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is OCC1(NCC(O)COc2cnsn2)CCCCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is PZMLAXNPCOFFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c16-9-12(4-2-1-3-5-12)13-6-10(17)8-18-11-7-14-19-15-11/h7,10,13,16-17H,1-6,8-9H2.
What are the key properties of 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 287.38 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 62522058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).