N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine

C16H20FNS — CID 43768553

IUPACN-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NC(C1CC1)C1CC1
InChIInChI=1S/C16H20FNS/c17-13-3-1-2-12-14(8-9-19-16(12)13)18-15(10-4-5-10)11-6-7-11/h1-3,10-11,14-15,18H,4-9H2
InChIKeyVRXOPXHZOCFLAC-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.14
Rot. Bonds4

About N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine

N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43768553) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43768553
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC NameN-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NC(C1CC1)C1CC1
InChIInChI=1S/C16H20FNS/c17-13-3-1-2-12-14(8-9-19-16(12)13)18-15(10-4-5-10)11-6-7-11/h1-3,10-11,14-15,18H,4-9H2
InChIKeyVRXOPXHZOCFLAC-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol
CID 113262036
8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103606076
8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43769833
N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43765030
1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 43776271
N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 103777403
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232589
4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 64912576
[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium
CID 7131598
8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 66352531
8-fluoro-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115575511
8-fluoro-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113348557

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (CID 43768553) is N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc2c1SCCC2NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is VRXOPXHZOCFLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c17-13-3-1-2-12-14(8-9-19-16(12)13)18-15(10-4-5-10)11-6-7-11/h1-3,10-11,14-15,18H,4-9H2.
What are the key properties of N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 277.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43768553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).