3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol

C14H20FNOS — CID 113262036

IUPAC3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol
SMILESCCC(CCO)NC1CCSc2c(F)cccc21
InChIInChI=1S/C14H20FNOS/c1-2-10(6-8-17)16-13-7-9-18-14-11(13)4-3-5-12(14)15/h3-5,10,13,16-17H,2,6-9H2,1H3
InChIKeySPWRISMMJJFOBJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.11
Rot. Bonds5

About 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol

3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol (PubChem CID 113262036) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol
PubChem CID113262036
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol
SMILESCCC(CCO)NC1CCSc2c(F)cccc21
InChIInChI=1S/C14H20FNOS/c1-2-10(6-8-17)16-13-7-9-18-14-11(13)4-3-5-12(14)15/h3-5,10,13,16-17H,2,6-9H2,1H3
InChIKeySPWRISMMJJFOBJ-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol with MolForge

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Related Compounds

N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43768553
1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 43776271
2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114750757
4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 64912576
2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide
CID 119727121
8-fluoro-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115575511
N-(2-ethylcyclopropyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 113261603
8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43769833
N-ethyl-9-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43539246
8-fluoro-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113348557
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232589
N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 103777403

Frequently Asked Questions

What is the IUPAC name of 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol?
The IUPAC name of 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol (CID 113262036) is 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol?
The canonical SMILES for 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol is CCC(CCO)NC1CCSc2c(F)cccc21.
What is the InChIKey of 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol?
The InChIKey is SPWRISMMJJFOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-2-10(6-8-17)16-13-7-9-18-14-11(13)4-3-5-12(14)15/h3-5,10,13,16-17H,2,6-9H2,1H3.
What are the key properties of 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol?
3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol has a molecular weight of 269.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 113262036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).