1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C12H21N3O2S — CID 81396146

IUPAC1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESC[C@H](NCC(O)COc1cnsn1)C1CCCC1
InChIInChI=1S/C12H21N3O2S/c1-9(10-4-2-3-5-10)13-6-11(16)8-17-12-7-14-18-15-12/h7,9-11,13,16H,2-6,8H2,1H3/t9-,11?/m0/s1
InChIKeyOELORBBWTKRKGC-FTNKSUMCSA-N
MW271.39 g/mol
LogP1.45
Rot. Bonds7

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

1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 81396146) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID81396146
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESC[C@H](NCC(O)COc1cnsn1)C1CCCC1
InChIInChI=1S/C12H21N3O2S/c1-9(10-4-2-3-5-10)13-6-11(16)8-17-12-7-14-18-15-12/h7,9-11,13,16H,2-6,8H2,1H3/t9-,11?/m0/s1
InChIKeyOELORBBWTKRKGC-FTNKSUMCSA-N
XLogP1.45
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898042
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-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60909284
1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 104577999
1-[(2-methoxycyclopentyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 55033364
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161
1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83036263
1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
CID 81395650

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 81396146) is 1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is C[C@H](NCC(O)COc1cnsn1)C1CCCC1.
What is the InChIKey of 1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is OELORBBWTKRKGC-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(10-4-2-3-5-10)13-6-11(16)8-17-12-7-14-18-15-12/h7,9-11,13,16H,2-6,8H2,1H3/t9-,11?/m0/s1.
What are the key properties of 1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 271.39 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 81396146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).