N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide

C16H24N2O2S — CID 81329335

IUPACN-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCS(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O2S/c1-18(10-3-9-17)16(19)8-11-21(20)15-7-6-13-4-2-5-14(13)12-15/h6-7,12H,2-5,8-11,17H2,1H3
InChIKeyGGZHEYDSXUDKIW-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.48
Rot. Bonds7

About N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide

N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide (PubChem CID 81329335) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide
PubChem CID81329335
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCS(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O2S/c1-18(10-3-9-17)16(19)8-11-21(20)15-7-6-13-4-2-5-14(13)12-15/h6-7,12H,2-5,8-11,17H2,1H3
InChIKeyGGZHEYDSXUDKIW-UHFFFAOYSA-N
XLogP1.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3-(4-bromophenyl)sulfinyl-N-methylpropanamide
CID 81329247
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one
CID 116694915
4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
CID 43240409
4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one
CID 64638484
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
5-(2,3-dihydro-1H-inden-5-ylsulfinyl)pentanenitrile
CID 63793177
3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide
CID 81190997
N-(3-aminopropyl)-N-methyl-3-propan-2-ylsulfinylpropanamide
CID 81329073
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone
CID 64639088
4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 82341441
2,3-dihydro-1H-indene-5-sulfinic acid
CID 22503835
N-(3-aminopropyl)-3-[benzyl(methyl)amino]-N-methylpropanamide
CID 43253618

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide (CID 81329335) is N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide is CN(CCCN)C(=O)CCS(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide?
The InChIKey is GGZHEYDSXUDKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-18(10-3-9-17)16(19)8-11-21(20)15-7-6-13-4-2-5-14(13)12-15/h6-7,12H,2-5,8-11,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide?
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide has a molecular weight of 308.45 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylpropanamide is sourced from PubChem (CID 81329335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).