3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide

C16H24N2O3S — CID 120826990

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O3S/c1-12(17-2)11-18-16(19)8-9-22(20,21)15-7-6-13-4-3-5-14(13)10-15/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyBJXQJKJNPAJAEM-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.06
Rot. Bonds7

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide (PubChem CID 120826990) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
PubChem CID120826990
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O3S/c1-12(17-2)11-18-16(19)8-9-22(20,21)15-7-6-13-4-3-5-14(13)10-15/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyBJXQJKJNPAJAEM-UHFFFAOYSA-N
XLogP1.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 120507153
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine
CID 64647032
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119406690
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
(2S)-2-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoylamino]hexanoic acid
CID 120614683
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119461973
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
CID 64642185
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 86951195
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 60553773
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide
CID 71938729
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)hexan-2-one
CID 64641999
3-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl-methylamino]propanoic acid
CID 119233149

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide (CID 120826990) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide is CNC(C)CNC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide?
The InChIKey is BJXQJKJNPAJAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(17-2)11-18-16(19)8-9-22(20,21)15-7-6-13-4-3-5-14(13)10-15/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide has a molecular weight of 324.45 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide is sourced from PubChem (CID 120826990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).