N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide

C9H18N2O2S — CID 58557869

IUPACN-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)CN1
InChIInChI=1S/C9H18N2O2S/c1-2-7-5-8(6-10-7)11-14(12,13)9-3-4-9/h7-11H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyOBTIZFRBWFUEAF-SFYZADRCSA-N
MW218.32 g/mol
LogP0.21
Rot. Bonds4

About N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide

N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide (PubChem CID 58557869) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide
PubChem CID58557869
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)CN1
InChIInChI=1S/C9H18N2O2S/c1-2-7-5-8(6-10-7)11-14(12,13)9-3-4-9/h7-11H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyOBTIZFRBWFUEAF-SFYZADRCSA-N
XLogP0.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide (CID 58557869) is N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide is CC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)CN1.
What is the InChIKey of N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide?
The InChIKey is OBTIZFRBWFUEAF-SFYZADRCSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-7-5-8(6-10-7)11-14(12,13)9-3-4-9/h7-11H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide?
N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide has a molecular weight of 218.32 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-5-ethylpyrrolidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 58557869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).