1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine

C15H23NOS — CID 64652817

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)CS(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NOS/c1-15(2,3)14(16)10-18(17)13-8-7-11-5-4-6-12(11)9-13/h7-9,14H,4-6,10,16H2,1-3H3
InChIKeyUMXOUOYUKJGROJ-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.66
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine

1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine (PubChem CID 64652817) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine
PubChem CID64652817
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)CS(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NOS/c1-15(2,3)14(16)10-18(17)13-8-7-11-5-4-6-12(11)9-13/h7-9,14H,4-6,10,16H2,1-3H3
InChIKeyUMXOUOYUKJGROJ-UHFFFAOYSA-N
XLogP2.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-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

2-(2,3-dihydro-1H-inden-5-ylsulfinylmethyl)-3,3,3-trifluoropropanoic acid
CID 80996550
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine
CID 64651990
1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine
CID 64653227
4-(2,3-dihydro-1H-inden-5-ylsulfinylmethyl)aniline
CID 61287818
5-(2,3-dihydro-1H-inden-5-ylsulfinyl)pentanenitrile
CID 63793177
2,3-dihydro-1H-indene-5-sulfinic acid
CID 22503835
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone
CID 64639088
2-bromo-5-(2,3-dihydro-1H-inden-5-ylsulfinylmethyl)aniline
CID 115558623
1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 114194480
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one
CID 116694915
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide
CID 81329335
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine
CID 64651157

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine (CID 64652817) is 1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine is CC(C)(C)C(N)CS(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine?
The InChIKey is UMXOUOYUKJGROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-15(2,3)14(16)10-18(17)13-8-7-11-5-4-6-12(11)9-13/h7-9,14H,4-6,10,16H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine?
1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 64652817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).