azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone

C21H30N2O3S — CID 30855869

IUPACazepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCCCC1
InChIInChI=1S/C21H30N2O3S/c24-21(22-12-3-1-2-4-13-22)18-10-14-23(15-11-18)27(25,26)20-9-8-17-6-5-7-19(17)16-20/h8-9,16,18H,1-7,10-15H2
InChIKeyLAIFJCHDVGKTHL-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.98
Rot. Bonds3

About azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone

azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone (PubChem CID 30855869) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
PubChem CID30855869
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC Nameazepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCCCC1
InChIInChI=1S/C21H30N2O3S/c24-21(22-12-3-1-2-4-13-22)18-10-14-23(15-11-18)27(25,26)20-9-8-17-6-5-7-19(17)16-20/h8-9,16,18H,1-7,10-15H2
InChIKeyLAIFJCHDVGKTHL-UHFFFAOYSA-N
XLogP2.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991
cyclobutyl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 8641227
(4-hydroxypiperidin-1-yl)-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanone
CID 134014817
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119270351
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(1-propylpiperidin-4-yl)methanone
CID 86844277
[(3R)-3-aminopyrrolidin-1-yl]-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanone;hydrochloride
CID 119411394
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119687808
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51294863
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
cyclopentyl-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110644472
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone (CID 30855869) is azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone is O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone?
The InChIKey is LAIFJCHDVGKTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S/c24-21(22-12-3-1-2-4-13-22)18-10-14-23(15-11-18)27(25,26)20-9-8-17-6-5-7-19(17)16-20/h8-9,16,18H,1-7,10-15H2.
What are the key properties of azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone has a molecular weight of 390.55 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 30855869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).