2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

C15H23NO3S — CID 79375426

IUPAC2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCC(C)S(=O)(=O)C1Cc2ccc(OC)cc2C1NC
InChIInChI=1S/C15H23NO3S/c1-5-10(2)20(17,18)14-8-11-6-7-12(19-4)9-13(11)15(14)16-3/h6-7,9-10,14-16H,5,8H2,1-4H3
InChIKeyQUCVIDFSWOJLSK-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.09
Rot. Bonds5

About 2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79375426) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79375426
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCC(C)S(=O)(=O)C1Cc2ccc(OC)cc2C1NC
InChIInChI=1S/C15H23NO3S/c1-5-10(2)20(17,18)14-8-11-6-7-12(19-4)9-13(11)15(14)16-3/h6-7,9-10,14-16H,5,8H2,1-4H3
InChIKeyQUCVIDFSWOJLSK-UHFFFAOYSA-N
XLogP2.09
TPSA55.40 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine
CID 79375167
6-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-yl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376099
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79375427
2-butan-2-ylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248549
3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79375512
N-ethyl-6-methoxy-2-(2-methylbutylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 107763601
2-N-(cyclopropylmethyl)-6-methoxy-1-N,2-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376461
7-methoxy-N-methyl-2-(2-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763687
3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol
CID 107772532
6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79368758
N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368198

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 79375426) is 2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is CCC(C)S(=O)(=O)C1Cc2ccc(OC)cc2C1NC.
What is the InChIKey of 2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QUCVIDFSWOJLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-10(2)20(17,18)14-8-11-6-7-12(19-4)9-13(11)15(14)16-3/h6-7,9-10,14-16H,5,8H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 297.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79375426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).