1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine

C14H20N2O2S — CID 32737600

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C14H20N2O2S/c1-15-7-9-16(10-8-15)19(17,18)14-6-5-12-3-2-4-13(12)11-14/h5-6,11H,2-4,7-10H2,1H3
InChIKeyGKFFYOHVOLWYSY-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.11
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine (PubChem CID 32737600) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
PubChem CID32737600
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C14H20N2O2S/c1-15-7-9-16(10-8-15)19(17,18)14-6-5-12-3-2-4-13(12)11-14/h5-6,11H,2-4,7-10H2,1H3
InChIKeyGKFFYOHVOLWYSY-UHFFFAOYSA-N
XLogP1.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 110721496
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
methyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
CID 110818539
1-(3-methylbutyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113075040
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-pentylsulfonylpiperazine
CID 86937206
N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737342
1-[4-(2,3-dihydro-1H-inden-5-yloxy)-3-nitrophenyl]sulfonyl-4-methylpiperazine
CID 7963193
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pentane-1,4-dione
CID 8641292
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443
3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-1-ol
CID 51225596
1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-2-one
CID 110665602
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 8641181

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine (CID 32737600) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine is CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine?
The InChIKey is GKFFYOHVOLWYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-15-7-9-16(10-8-15)19(17,18)14-6-5-12-3-2-4-13(12)11-14/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine has a molecular weight of 280.39 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine is sourced from PubChem (CID 32737600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).