N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide

C11H24N2O3S — CID 75510917

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)C(C)COC
InChIInChI=1S/C11H24N2O3S/c1-4-13-7-5-6-11(13)8-12-17(14,15)10(2)9-16-3/h10-12H,4-9H2,1-3H3
InChIKeyYQMSCPBIVBPPSB-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.43
Rot. Bonds7

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide (PubChem CID 75510917) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide
PubChem CID75510917
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)C(C)COC
InChIInChI=1S/C11H24N2O3S/c1-4-13-7-5-6-11(13)8-12-17(14,15)10(2)9-16-3/h10-12H,4-9H2,1-3H3
InChIKeyYQMSCPBIVBPPSB-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide (CID 75510917) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide is CCN1CCCC1CNS(=O)(=O)C(C)COC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide?
The InChIKey is YQMSCPBIVBPPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-13-7-5-6-11(13)8-12-17(14,15)10(2)9-16-3/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide is sourced from PubChem (CID 75510917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).