N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine

C14H21NOS — CID 115721989

IUPACN-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCSCCC(C)NC1CCOc2ccccc21
InChIInChI=1S/C14H21NOS/c1-11(8-10-17-2)15-13-7-9-16-14-6-4-3-5-12(13)14/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyXVTCJKNQMSREMS-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.24
Rot. Bonds5

About N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine

N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 115721989) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID115721989
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCSCCC(C)NC1CCOc2ccccc21
InChIInChI=1S/C14H21NOS/c1-11(8-10-17-2)15-13-7-9-16-14-6-4-3-5-12(13)14/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyXVTCJKNQMSREMS-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115725491
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
CID 60943496
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43749078
3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide
CID 77028469
[1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105333582
(2R)-2-(2,3,4,5-tetrahydro-1-benzoxepin-5-ylamino)propan-1-ol
CID 103778563
N-(4-methylsulfanylbutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115721998
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
CID 60722358
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 81338825
6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 64602781

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 115721989) is N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine is CSCCC(C)NC1CCOc2ccccc21.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XVTCJKNQMSREMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(8-10-17-2)15-13-7-9-16-14-6-4-3-5-12(13)14/h3-6,11,13,15H,7-10H2,1-2H3.
What are the key properties of N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 251.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 115721989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).