2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide

C19H29N3O3S — CID 24525776

IUPAC2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C19H29N3O3S/c1-3-21(4-2)19(23)15-20-10-12-22(13-11-20)26(24,25)18-9-8-16-6-5-7-17(16)14-18/h8-9,14H,3-7,10-13,15H2,1-2H3
InChIKeyDDFXQAFXGRQBST-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.35
Rot. Bonds6

About 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide

2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 24525776) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide
PubChem CID24525776
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C19H29N3O3S/c1-3-21(4-2)19(23)15-20-10-12-22(13-11-20)26(24,25)18-9-8-16-6-5-7-17(16)14-18/h8-9,14H,3-7,10-13,15H2,1-2H3
InChIKeyDDFXQAFXGRQBST-UHFFFAOYSA-N
XLogP1.35
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide (CID 24525776) is 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is DDFXQAFXGRQBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-3-21(4-2)19(23)15-20-10-12-22(13-11-20)26(24,25)18-9-8-16-6-5-7-17(16)14-18/h8-9,14H,3-7,10-13,15H2,1-2H3.
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide?
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 379.53 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 24525776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).