[4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine

C15H23NO3S — CID 106734060

IUPAC[4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine
SMILESCC(C)S(=O)(=O)CCC1(CN)CCOc2ccccc21
InChIInChI=1S/C15H23NO3S/c1-12(2)20(17,18)10-8-15(11-16)7-9-19-14-6-4-3-5-13(14)15/h3-6,12H,7-11,16H2,1-2H3
InChIKeyQKADWAZCBNUEED-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.88
Rot. Bonds5

About [4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine

[4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine (PubChem CID 106734060) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is [4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine
PubChem CID106734060
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name[4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine
SMILESCC(C)S(=O)(=O)CCC1(CN)CCOc2ccccc21
InChIInChI=1S/C15H23NO3S/c1-12(2)20(17,18)10-8-15(11-16)7-9-19-14-6-4-3-5-13(14)15/h3-6,12H,7-11,16H2,1-2H3
InChIKeyQKADWAZCBNUEED-UHFFFAOYSA-N
XLogP1.88
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-butyl-2,3-dihydrochromen-4-yl)methanamine
CID 65407498
[4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine
CID 65407110
[4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine
CID 103184853
[4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine
CID 79558252
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
[4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65408843
[4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65408459
[4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65407873
[4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 107310651
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-methylbutan-1-ol
CID 79137627
4-propan-2-yl-2,3-dihydrochromen-4-amine
CID 126977471
[4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65409422

Frequently Asked Questions

What is the IUPAC name of [4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine?
The IUPAC name of [4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine (CID 106734060) is [4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine.
What is the SMILES notation for [4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine?
The canonical SMILES for [4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine is CC(C)S(=O)(=O)CCC1(CN)CCOc2ccccc21.
What is the InChIKey of [4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine?
The InChIKey is QKADWAZCBNUEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12(2)20(17,18)10-8-15(11-16)7-9-19-14-6-4-3-5-13(14)15/h3-6,12H,7-11,16H2,1-2H3.
What are the key properties of [4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine?
[4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine has a molecular weight of 297.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine is sourced from PubChem (CID 106734060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).