[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride

C18H26ClN3O4S — CID 119687775

IUPAC[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1COCCN1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H25N3O4S.ClH/c22-18(17-13-25-11-6-19-17)20-7-9-21(10-8-20)26(23,24)16-5-4-14-2-1-3-15(14)12-16;/h4-5,12,17,19H,1-3,6-11,13H2;1H
InChIKeyKXQOWGVPQYSVER-UHFFFAOYSA-N
MW415.94 g/mol
LogP0.42
Rot. Bonds3

About [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride

[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride (PubChem CID 119687775) has the molecular formula C18H26ClN3O4S and a molecular weight of 415.94 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
PubChem CID119687775
Molecular FormulaC18H26ClN3O4S
Molecular Weight415.94 g/mol
Exact Mass415.13
IUPAC Name[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1COCCN1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H25N3O4S.ClH/c22-18(17-13-25-11-6-19-17)20-7-9-21(10-8-20)26(23,24)16-5-4-14-2-1-3-15(14)12-16;/h4-5,12,17,19H,1-3,6-11,13H2;1H
InChIKeyKXQOWGVPQYSVER-UHFFFAOYSA-N
XLogP0.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.94
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119270351
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone
CID 119678670
cyclobutyl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 8641227
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119687808
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991
azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
CID 30855869
methyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
CID 110818539
3-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119270347
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone
CID 119265307
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(1-propylpiperidin-4-yl)methanone
CID 86844277
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone
CID 55474132
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride (CID 119687775) is [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride is Cl.O=C(C1COCCN1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The InChIKey is KXQOWGVPQYSVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S.ClH/c22-18(17-13-25-11-6-19-17)20-7-9-21(10-8-20)26(23,24)16-5-4-14-2-1-3-15(14)12-16;/h4-5,12,17,19H,1-3,6-11,13H2;1H.
What are the key properties of [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride has a molecular weight of 415.94 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119687775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).