N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine

C13H17NS — CID 83910395

IUPACN-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CSc2ccccc2C1NC1CC1
InChIInChI=1S/C13H17NS/c1-9-8-15-12-5-3-2-4-11(12)13(9)14-10-6-7-10/h2-5,9-10,13-14H,6-8H2,1H3
InChIKeyCIQSXXFRZZVOSH-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.22
Rot. Bonds2

About N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine

N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 83910395) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID83910395
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC NameN-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CSc2ccccc2C1NC1CC1
InChIInChI=1S/C13H17NS/c1-9-8-15-12-5-3-2-4-11(12)13(9)14-10-6-7-10/h2-5,9-10,13-14H,6-8H2,1H3
InChIKeyCIQSXXFRZZVOSH-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(3R,4S)-3-methyl-3,4-dihydro-2H-thiochromen-4-yl]piperidin-4-amine
CID 97235688
N-cyclopentyl-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 115889725
1-[4-[(6-bromo-3-methyl-3,4-dihydro-2H-thiochromen-4-yl)amino]piperidin-1-yl]ethanone
CID 154747840
N-cyclopropyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 112714860
N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115721294
N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 81301136
N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213245
4-[(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]cyclohexane-1-carboxylic acid
CID 122032898
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine
CID 79220706
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81338414
1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 105079433
1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 105176241

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine (CID 83910395) is N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine is CC1CSc2ccccc2C1NC1CC1.
What is the InChIKey of N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is CIQSXXFRZZVOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-9-8-15-12-5-3-2-4-11(12)13(9)14-10-6-7-10/h2-5,9-10,13-14H,6-8H2,1H3.
What are the key properties of N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine?
N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 219.35 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 83910395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).