1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol

C18H27FN2OS — CID 110905057

IUPAC1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CNC2CCSc3ccc(F)cc32)CC1
InChIInChI=1S/C18H27FN2OS/c1-13-4-7-21(8-5-13)12-15(22)11-20-17-6-9-23-18-3-2-14(19)10-16(17)18/h2-3,10,13,15,17,20,22H,4-9,11-12H2,1H3
InChIKeyDWCNVKKYKCBOBY-UHFFFAOYSA-N
MW338.49 g/mol
LogP3.05
Rot. Bonds5

About 1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 110905057) has the molecular formula C18H27FN2OS and a molecular weight of 338.49 g/mol. Its IUPAC name is 1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID110905057
Molecular FormulaC18H27FN2OS
Molecular Weight338.49 g/mol
Exact Mass338.18
IUPAC Name1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CNC2CCSc3ccc(F)cc32)CC1
InChIInChI=1S/C18H27FN2OS/c1-13-4-7-21(8-5-13)12-15(22)11-20-17-6-9-23-18-3-2-14(19)10-16(17)18/h2-3,10,13,15,17,20,22H,4-9,11-12H2,1H3
InChIKeyDWCNVKKYKCBOBY-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 94044546
1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904890
N-(3,3-dimethylbutyl)-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 62949456
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43230799
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine
CID 43230782
(2S)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 103906580
(2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 103906916
N-[(2,6-difluorophenyl)methyl]-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43230816
6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43230785
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 103779098
N-[(3-chloro-4-fluorophenyl)methyl]-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 81148308

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 110905057) is 1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)CNC2CCSc3ccc(F)cc32)CC1.
What is the InChIKey of 1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is DWCNVKKYKCBOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2OS/c1-13-4-7-21(8-5-13)12-15(22)11-20-17-6-9-23-18-3-2-14(19)10-16(17)18/h2-3,10,13,15,17,20,22H,4-9,11-12H2,1H3.
What are the key properties of 1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 338.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 110905057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).