5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one

C11H16N2O3S2 — CID 113336018

IUPAC5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CC2CCCC2C1
InChIInChI=1S/C11H16N2O3S2/c1-7-10(17-11(14)12-7)18(15,16)13-5-8-3-2-4-9(8)6-13/h8-9H,2-6H2,1H3,(H,12,14)
InChIKeyMQPMSKVARSWCQJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.17
Rot. Bonds2

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

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 113336018) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one
PubChem CID113336018
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CC2CCCC2C1
InChIInChI=1S/C11H16N2O3S2/c1-7-10(17-11(14)12-7)18(15,16)13-5-8-3-2-4-9(8)6-13/h8-9H,2-6H2,1H3,(H,12,14)
InChIKeyMQPMSKVARSWCQJ-UHFFFAOYSA-N
XLogP1.17
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)sulfonyl]-3H-1,3-thiazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one (CID 113336018) is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CC2CCCC2C1.
What is the InChIKey of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is MQPMSKVARSWCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-7-10(17-11(14)12-7)18(15,16)13-5-8-3-2-4-9(8)6-13/h8-9H,2-6H2,1H3,(H,12,14).
What are the key properties of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one?
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 288.39 g/mol, XLogP of 1.17, 2 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)-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 113336018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).