pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone

C18H26N2O3S2 — CID 53183553

IUPACpyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2cccs2)CC12CCCCC2)N1CCCC1
InChIInChI=1S/C18H26N2O3S2/c21-17(19-10-4-5-11-19)15-13-20(14-18(15)8-2-1-3-9-18)25(22,23)16-7-6-12-24-16/h6-7,12,15H,1-5,8-11,13-14H2
InChIKeyVKHQZWOSUMLDNF-UHFFFAOYSA-N
MW382.55 g/mol
LogP2.94
Rot. Bonds3

About pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone

pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone (PubChem CID 53183553) has the molecular formula C18H26N2O3S2 and a molecular weight of 382.55 g/mol. Its IUPAC name is pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone
PubChem CID53183553
Molecular FormulaC18H26N2O3S2
Molecular Weight382.55 g/mol
Exact Mass382.14
IUPAC Namepyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2cccs2)CC12CCCCC2)N1CCCC1
InChIInChI=1S/C18H26N2O3S2/c21-17(19-10-4-5-11-19)15-13-20(14-18(15)8-2-1-3-9-18)25(22,23)16-7-6-12-24-16/h6-7,12,15H,1-5,8-11,13-14H2
InChIKeyVKHQZWOSUMLDNF-UHFFFAOYSA-N
XLogP2.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
(4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105965
piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55428093
1-thiophen-2-ylsulfonylpiperidine
CID 765823
cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
CID 25187118
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
1-pyrrolidin-1-yl-2-[4-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 41074973
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 9296568
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 9296574
2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183516

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone?
The IUPAC name of pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone (CID 53183553) is pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone is O=C(C1CN(S(=O)(=O)c2cccs2)CC12CCCCC2)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone?
The InChIKey is VKHQZWOSUMLDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S2/c21-17(19-10-4-5-11-19)15-13-20(14-18(15)8-2-1-3-9-18)25(22,23)16-7-6-12-24-16/h6-7,12,15H,1-5,8-11,13-14H2.
What are the key properties of pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone?
pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone has a molecular weight of 382.55 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-(2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decan-4-yl)methanone is sourced from PubChem (CID 53183553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).