N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide

C9H20N2O2S — CID 60650352

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)CC
InChIInChI=1S/C9H20N2O2S/c1-3-11-7-5-6-9(11)8-10-14(12,13)4-2/h9-10H,3-8H2,1-2H3
InChIKeyMBXNRWMMHDRROS-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.41
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide (PubChem CID 60650352) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide
PubChem CID60650352
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)CC
InChIInChI=1S/C9H20N2O2S/c1-3-11-7-5-6-9(11)8-10-14(12,13)4-2/h9-10H,3-8H2,1-2H3
InChIKeyMBXNRWMMHDRROS-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide (CID 60650352) is N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide is CCN1CCCC1CNS(=O)(=O)CC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide?
The InChIKey is MBXNRWMMHDRROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-11-7-5-6-9(11)8-10-14(12,13)4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 60650352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).