N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C11H18N2O3S — CID 103308332

IUPACN-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1NCC2CCCC21
InChIInChI=1S/C11H18N2O3S/c14-11(13-17(15,16)8-4-5-8)10-9-3-1-2-7(9)6-12-10/h7-10,12H,1-6H2,(H,13,14)
InChIKeyMQBDCIJCVKSASJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP-0.02
Rot. Bonds3

About N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 103308332) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID103308332
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1NCC2CCCC21
InChIInChI=1S/C11H18N2O3S/c14-11(13-17(15,16)8-4-5-8)10-9-3-1-2-7(9)6-12-10/h7-10,12H,1-6H2,(H,13,14)
InChIKeyMQBDCIJCVKSASJ-UHFFFAOYSA-N
XLogP-0.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 103308332) is N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is O=C(NS(=O)(=O)C1CC1)C1NCC2CCCC21.
What is the InChIKey of N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is MQBDCIJCVKSASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c14-11(13-17(15,16)8-4-5-8)10-9-3-1-2-7(9)6-12-10/h7-10,12H,1-6H2,(H,13,14).
What are the key properties of N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 258.34 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 103308332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).