N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine

C15H23NS — CID 43740196

IUPACN-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCC(C)CNC1CCSc2ccccc21
InChIInChI=1S/C15H23NS/c1-3-6-12(2)11-16-14-9-10-17-15-8-5-4-7-13(14)15/h4-5,7-8,12,14,16H,3,6,9-11H2,1-2H3
InChIKeyXQUDXQGQJYTZLR-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.25
Rot. Bonds5

About N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine

N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43740196) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43740196
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCC(C)CNC1CCSc2ccccc21
InChIInChI=1S/C15H23NS/c1-3-6-12(2)11-16-14-9-10-17-15-8-5-4-7-13(14)15/h4-5,7-8,12,14,16H,3,6,9-11H2,1-2H3
InChIKeyXQUDXQGQJYTZLR-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol
CID 103787361
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-methylpropanenitrile
CID 60658495
N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 166197136
3-(3,4-dihydro-2H-thiochromen-4-ylamino)propane-1,2-diol
CID 60658466
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol
CID 103787915
N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
N-(5-methylheptan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740223
N-(1-ethylsulfonylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115889817
4-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)butan-2-ol
CID 71915910
4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methylbutan-1-ol
CID 66091972
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
CID 103788965
8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115704783

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43740196) is N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine is CCCC(C)CNC1CCSc2ccccc21.
What is the InChIKey of N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is XQUDXQGQJYTZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-6-12(2)11-16-14-9-10-17-15-8-5-4-7-13(14)15/h4-5,7-8,12,14,16H,3,6,9-11H2,1-2H3.
What are the key properties of N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 249.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43740196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).