1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C13H23N3O3S — CID 62553532

IUPAC1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCC1CCC(CO)(NCC(O)COc2cnsn2)CC1
InChIInChI=1S/C13H23N3O3S/c1-10-2-4-13(9-17,5-3-10)14-6-11(18)8-19-12-7-15-20-16-12/h7,10-11,14,17-18H,2-6,8-9H2,1H3
InChIKeyAHSNJYUDTWKSKM-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.81
Rot. Bonds7

About 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 62553532) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID62553532
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCC1CCC(CO)(NCC(O)COc2cnsn2)CC1
InChIInChI=1S/C13H23N3O3S/c1-10-2-4-13(9-17,5-3-10)14-6-11(18)8-19-12-7-15-20-16-12/h7,10-11,14,17-18H,2-6,8-9H2,1H3
InChIKeyAHSNJYUDTWKSKM-UHFFFAOYSA-N
XLogP0.81
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol with MolForge

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Related Compounds

1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 62522058
1-[(2,6-dimethylpiperidin-1-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83021124
1-(cyclopentylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904172
1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60897023
1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 104577999
1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
CID 62551135
1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 114099960
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 105416586
1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81396146
1-[(2-methoxycyclopentyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 55033364
1-butoxy-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
CID 107262769
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 62553532) is 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is CC1CCC(CO)(NCC(O)COc2cnsn2)CC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is AHSNJYUDTWKSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10-2-4-13(9-17,5-3-10)14-6-11(18)8-19-12-7-15-20-16-12/h7,10-11,14,17-18H,2-6,8-9H2,1H3.
What are the key properties of 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 301.41 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 62553532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).