4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol

C15H25NO3S — CID 106133162

IUPAC4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC(O)COCc2cccs2)CC1
InChIInChI=1S/C15H25NO3S/c17-13-5-3-12(4-6-13)8-16-9-14(18)10-19-11-15-2-1-7-20-15/h1-2,7,12-14,16-18H,3-6,8-11H2
InChIKeyPYASPQRVWZJLMV-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.77
Rot. Bonds8

About 4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol

4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol (PubChem CID 106133162) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol
PubChem CID106133162
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC(O)COCc2cccs2)CC1
InChIInChI=1S/C15H25NO3S/c17-13-5-3-12(4-6-13)8-16-9-14(18)10-19-11-15-2-1-7-20-15/h1-2,7,12-14,16-18H,3-6,8-11H2
InChIKeyPYASPQRVWZJLMV-UHFFFAOYSA-N
XLogP1.77
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 55014565
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79358228
(2S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2101327
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
1-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65123112
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-[2-(furan-2-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54907292
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol (CID 106133162) is 4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol is OC1CCC(CNCC(O)COCc2cccs2)CC1.
What is the InChIKey of 4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is PYASPQRVWZJLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c17-13-5-3-12(4-6-13)8-16-9-14(18)10-19-11-15-2-1-7-20-15/h1-2,7,12-14,16-18H,3-6,8-11H2.
What are the key properties of 4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol?
4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 299.44 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).