5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol

C15H27NO2S — CID 154766369

IUPAC5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol
SMILESCCC(CC(C)(O)CC)NCC(C)(O)c1ccsc1
InChIInChI=1S/C15H27NO2S/c1-5-13(9-14(3,17)6-2)16-11-15(4,18)12-7-8-19-10-12/h7-8,10,13,16-18H,5-6,9,11H2,1-4H3
InChIKeyLRSNGVDWDPOXIQ-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.87
Rot. Bonds8

About 5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol

5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol (PubChem CID 154766369) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol.

Molecular Properties

Compound Name5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol
PubChem CID154766369
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol
SMILESCCC(CC(C)(O)CC)NCC(C)(O)c1ccsc1
InChIInChI=1S/C15H27NO2S/c1-5-13(9-14(3,17)6-2)16-11-15(4,18)12-7-8-19-10-12/h7-8,10,13,16-18H,5-6,9,11H2,1-4H3
InChIKeyLRSNGVDWDPOXIQ-UHFFFAOYSA-N
XLogP2.87
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol
CID 111755705
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
3-methyl-2-thiophen-3-ylpentan-2-ol
CID 65100069
3-thiophen-3-ylpentan-3-ol
CID 65099780
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791
2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-propylguanidine
CID 111823975
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
CID 115907531
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-pentylurea
CID 111450359
1-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111653840
3-thiophen-3-ylpentan-3-amine
CID 65099925
(2S)-1-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]amino]-2-thiophen-3-ylpropan-2-ol
CID 124872908

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol?
The IUPAC name of 5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol (CID 154766369) is 5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol.
What is the SMILES notation for 5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol?
The canonical SMILES for 5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol is CCC(CC(C)(O)CC)NCC(C)(O)c1ccsc1.
What is the InChIKey of 5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol?
The InChIKey is LRSNGVDWDPOXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-5-13(9-14(3,17)6-2)16-11-15(4,18)12-7-8-19-10-12/h7-8,10,13,16-18H,5-6,9,11H2,1-4H3.
What are the key properties of 5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol?
5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol has a molecular weight of 285.45 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol is sourced from PubChem (CID 154766369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).