N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine

C14H15NOS2 — CID 172719708

IUPACN-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(Sc3cccs3)ccc21
InChIInChI=1S/C14H15NOS2/c1-15-12-6-7-16-13-9-10(4-5-11(12)13)18-14-3-2-8-17-14/h2-5,8-9,12,15H,6-7H2,1H3
InChIKeyGIMHDBFQQZTJQI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.94
Rot. Bonds3

About N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine

N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 172719708) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID172719708
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC NameN-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(Sc3cccs3)ccc21
InChIInChI=1S/C14H15NOS2/c1-15-12-6-7-16-13-9-10(4-5-11(12)13)18-14-3-2-8-17-14/h2-5,8-9,12,15H,6-7H2,1H3
InChIKeyGIMHDBFQQZTJQI-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 172780354
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130952274
3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one
CID 43586965
6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461683
7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 107170028
7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130820671
N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 172842465
N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43722981
8-bromo-N-[(1R)-1-thiophen-2-ylethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 81398268
8-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43511818
(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol
CID 63813796

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine (CID 172719708) is N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine is CNC1CCOc2cc(Sc3cccs3)ccc21.
What is the InChIKey of N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GIMHDBFQQZTJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c1-15-12-6-7-16-13-9-10(4-5-11(12)13)18-14-3-2-8-17-14/h2-5,8-9,12,15H,6-7H2,1H3.
What are the key properties of N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine?
N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 172719708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).