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

C19H26N2O3S — CID 17407991

IUPAC[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCC1
InChIInChI=1S/C19H26N2O3S/c22-19(20-10-1-2-11-20)16-8-12-21(13-9-16)25(23,24)18-7-6-15-4-3-5-17(15)14-18/h6-7,14,16H,1-5,8-13H2
InChIKeyDWPHMRCHSROZOR-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.20
Rot. Bonds3

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

[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 17407991) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID17407991
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCC1
InChIInChI=1S/C19H26N2O3S/c22-19(20-10-1-2-11-20)16-8-12-21(13-9-16)25(23,24)18-7-6-15-4-3-5-17(15)14-18/h6-7,14,16H,1-5,8-13H2
InChIKeyDWPHMRCHSROZOR-UHFFFAOYSA-N
XLogP2.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
CID 30855869
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)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55953557
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 17407991) is [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCC1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DWPHMRCHSROZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c22-19(20-10-1-2-11-20)16-8-12-21(13-9-16)25(23,24)18-7-6-15-4-3-5-17(15)14-18/h6-7,14,16H,1-5,8-13H2.
What are the key properties of [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 362.50 g/mol, XLogP of 2.20, 3 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)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 17407991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).