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

C15H27NO3S — CID 106115240

IUPAC3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCC(O)COCc1cccs1
InChIInChI=1S/C15H27NO3S/c1-2-4-13(6-7-17)9-16-10-14(18)11-19-12-15-5-3-8-20-15/h3,5,8,13-14,16-18H,2,4,6-7,9-12H2,1H3
InChIKeySSLKCYQKCSMSSB-UHFFFAOYSA-N
MW301.45 g/mol
LogP2.01
Rot. Bonds12

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

3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol (PubChem CID 106115240) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is 3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol
PubChem CID106115240
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCC(O)COCc1cccs1
InChIInChI=1S/C15H27NO3S/c1-2-4-13(6-7-17)9-16-10-14(18)11-19-12-15-5-3-8-20-15/h3,5,8,13-14,16-18H,2,4,6-7,9-12H2,1H3
InChIKeySSLKCYQKCSMSSB-UHFFFAOYSA-N
XLogP2.01
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634664
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
5-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-4,4-dimethylpentan-1-ol
CID 106147082
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79358228
2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79248985
1-[2-(furan-2-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54907292

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol (CID 106115240) is 3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol is CCCC(CCO)CNCC(O)COCc1cccs1.
What is the InChIKey of 3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol?
The InChIKey is SSLKCYQKCSMSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-2-4-13(6-7-17)9-16-10-14(18)11-19-12-15-5-3-8-20-15/h3,5,8,13-14,16-18H,2,4,6-7,9-12H2,1H3.
What are the key properties of 3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol?
3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol has a molecular weight of 301.45 g/mol, XLogP of 2.01, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol is sourced from PubChem (CID 106115240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).