[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol

C12H17NO4S — CID 115562691

IUPAC[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol
SMILESO=S(=O)(c1ccc(CO)o1)N1CC2CCCC2C1
InChIInChI=1S/C12H17NO4S/c14-8-11-4-5-12(17-11)18(15,16)13-6-9-2-1-3-10(9)7-13/h4-5,9-10,14H,1-3,6-8H2
InChIKeyQEKWIEPTBFFCNF-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.19
Rot. Bonds3

About [5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol

[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol (PubChem CID 115562691) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is [5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol
PubChem CID115562691
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol
SMILESO=S(=O)(c1ccc(CO)o1)N1CC2CCCC2C1
InChIInChI=1S/C12H17NO4S/c14-8-11-4-5-12(17-11)18(15,16)13-6-9-2-1-3-10(9)7-13/h4-5,9-10,14H,1-3,6-8H2
InChIKeyQEKWIEPTBFFCNF-UHFFFAOYSA-N
XLogP1.19
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methyl]propan-2-amine
CID 115562686
(3S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-3-ol
CID 111123221
[5-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol
CID 104692778
[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methanol
CID 114460972
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol
CID 113336351
(2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide
CID 94178041
(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910850
[(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 96528122
2-[5-(2-chloroethyl)thiophen-2-yl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113336365
3-[1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 111103038
N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
CID 103504076
1-[5-(chloromethyl)furan-2-yl]sulfonyl-4-methylsulfanylpiperidine
CID 114238587

Frequently Asked Questions

What is the IUPAC name of [5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol?
The IUPAC name of [5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol (CID 115562691) is [5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol?
The canonical SMILES for [5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol is O=S(=O)(c1ccc(CO)o1)N1CC2CCCC2C1.
What is the InChIKey of [5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol?
The InChIKey is QEKWIEPTBFFCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c14-8-11-4-5-12(17-11)18(15,16)13-6-9-2-1-3-10(9)7-13/h4-5,9-10,14H,1-3,6-8H2.
What are the key properties of [5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol?
[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol has a molecular weight of 271.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methanol is sourced from PubChem (CID 115562691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).