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

C12H18N2O3S — CID 113336351

IUPAC[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol
SMILESO=S(=O)(c1c[nH]c(CO)c1)N1CC2CCCC2C1
InChIInChI=1S/C12H18N2O3S/c15-8-11-4-12(5-13-11)18(16,17)14-6-9-2-1-3-10(9)7-14/h4-5,9-10,13,15H,1-3,6-8H2
InChIKeyUWYGPKAKLZCQMH-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.93
Rot. Bonds3

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

[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol (PubChem CID 113336351) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol
PubChem CID113336351
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol
SMILESO=S(=O)(c1c[nH]c(CO)c1)N1CC2CCCC2C1
InChIInChI=1S/C12H18N2O3S/c15-8-11-4-12(5-13-11)18(16,17)14-6-9-2-1-3-10(9)7-14/h4-5,9-10,13,15H,1-3,6-8H2
InChIKeyUWYGPKAKLZCQMH-UHFFFAOYSA-N
XLogP0.93
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-sulfonamide
CID 65729212
5-(hydroxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrrole-3-sulfonamide
CID 65732617
[4-[4-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyrrol-2-yl]methanol
CID 65733582
[4-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyrrol-2-yl]methanol
CID 65734921
5-(hydroxymethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-sulfonamide
CID 65735313
5-(hydroxymethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-sulfonamide
CID 65735694
N-cyclopropyl-5-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-sulfonamide
CID 65736077
N-ethyl-5-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-sulfonamide
CID 65737985
5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-3-sulfonamide
CID 65739954
N-[1-(2-fluorophenyl)ethyl]-5-(hydroxymethyl)-N-methyl-1H-pyrrole-3-sulfonamide
CID 65740497
5-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-sulfonamide
CID 65742246
N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-N-methyl-1H-pyrrole-3-sulfonamide
CID 65742669

Frequently Asked Questions

What is the IUPAC name of [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol?
The IUPAC name of [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol (CID 113336351) is [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol.
What is the SMILES notation for [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol?
The canonical SMILES for [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol is O=S(=O)(c1c[nH]c(CO)c1)N1CC2CCCC2C1.
What is the InChIKey of [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol?
The InChIKey is UWYGPKAKLZCQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-8-11-4-12(5-13-11)18(16,17)14-6-9-2-1-3-10(9)7-14/h4-5,9-10,13,15H,1-3,6-8H2.
What are the key properties of [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol?
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol has a molecular weight of 270.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol is sourced from PubChem (CID 113336351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).