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

C12H16BrNOS — CID 103906916

IUPAC(2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCSc2ccc(Br)cc21
InChIInChI=1S/C12H16BrNOS/c1-8(15)7-14-11-4-5-16-12-3-2-9(13)6-10(11)12/h2-3,6,8,11,14-15H,4-5,7H2,1H3/t8-,11?/m1/s1
InChIKeyYBPHTEUVZDCLOY-RZZZFEHKSA-N
MW302.24 g/mol
LogP2.96
Rot. Bonds3

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

(2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol (PubChem CID 103906916) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is (2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
PubChem CID103906916
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name(2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCSc2ccc(Br)cc21
InChIInChI=1S/C12H16BrNOS/c1-8(15)7-14-11-4-5-16-12-3-2-9(13)6-10(11)12/h2-3,6,8,11,14-15H,4-5,7H2,1H3/t8-,11?/m1/s1
InChIKeyYBPHTEUVZDCLOY-RZZZFEHKSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2S)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 103906580
(2R)-1-[[(5R)-7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]amino]propan-2-ol
CID 99824226
1-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-ethylpentan-2-ol
CID 103783037
4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methylbutan-1-ol
CID 66091972
1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 43776271
6-chloro-N-(2-methylsulfinylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115896272
3-(3,4-dihydro-2H-thiochromen-4-ylamino)propane-1,2-diol
CID 60658466
1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905057
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol
CID 103787915
(2R)-1-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-2-ol
CID 103906801
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-methylpropanenitrile
CID 60658495

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol (CID 103906916) is (2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol is C[C@@H](O)CNC1CCSc2ccc(Br)cc21.
What is the InChIKey of (2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol?
The InChIKey is YBPHTEUVZDCLOY-RZZZFEHKSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-8(15)7-14-11-4-5-16-12-3-2-9(13)6-10(11)12/h2-3,6,8,11,14-15H,4-5,7H2,1H3/t8-,11?/m1/s1.
What are the key properties of (2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol?
(2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol has a molecular weight of 302.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-bromo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol is sourced from PubChem (CID 103906916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).