N-methyl-2H-thiochromen-4-amine

C10H11NS — CID 91008977

IUPACN-methyl-2H-thiochromen-4-amine
SMILESCNC1=CCSc2ccccc21
InChIInChI=1S/C10H11NS/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h2-6,11H,7H2,1H3
InChIKeyPXSDUGKJCCSXRT-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.35
Rot. Bonds1

About N-methyl-2H-thiochromen-4-amine

N-methyl-2H-thiochromen-4-amine (PubChem CID 91008977) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is N-methyl-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-methyl-2H-thiochromen-4-amine
PubChem CID91008977
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC NameN-methyl-2H-thiochromen-4-amine
SMILESCNC1=CCSc2ccccc21
InChIInChI=1S/C10H11NS/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h2-6,11H,7H2,1H3
InChIKeyPXSDUGKJCCSXRT-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

fluoromethane;N-methyl-3,4-dihydronaphthalen-1-amine
CID 144557544
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N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
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CID 134090714
(3S)-3-methyl-2,3-dihydrothiochromen-4-one
CID 51656328
N-methyl-1,2-dihydroisoquinolin-4-amine
CID 166944414
2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole
CID 130511764
N-methyl-8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2H-thiochromen-4-amine?
The IUPAC name of N-methyl-2H-thiochromen-4-amine (CID 91008977) is N-methyl-2H-thiochromen-4-amine.
What is the SMILES notation for N-methyl-2H-thiochromen-4-amine?
The canonical SMILES for N-methyl-2H-thiochromen-4-amine is CNC1=CCSc2ccccc21.
What is the InChIKey of N-methyl-2H-thiochromen-4-amine?
The InChIKey is PXSDUGKJCCSXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h2-6,11H,7H2,1H3.
What are the key properties of N-methyl-2H-thiochromen-4-amine?
N-methyl-2H-thiochromen-4-amine has a molecular weight of 177.27 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2H-thiochromen-4-amine is sourced from PubChem (CID 91008977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).