2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide

C10H22N2O3S — CID 71852476

IUPAC2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide
SMILESCC(C)COC1CCN(CCS(N)(=O)=O)C1
InChIInChI=1S/C10H22N2O3S/c1-9(2)8-15-10-3-4-12(7-10)5-6-16(11,13)14/h9-10H,3-8H2,1-2H3,(H2,11,13,14)
InChIKeyUPFTZIPBPICXDZ-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.02
Rot. Bonds6

About 2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide

2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide (PubChem CID 71852476) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide
PubChem CID71852476
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide
SMILESCC(C)COC1CCN(CCS(N)(=O)=O)C1
InChIInChI=1S/C10H22N2O3S/c1-9(2)8-15-10-3-4-12(7-10)5-6-16(11,13)14/h9-10H,3-8H2,1-2H3,(H2,11,13,14)
InChIKeyUPFTZIPBPICXDZ-UHFFFAOYSA-N
XLogP0.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide?
The IUPAC name of 2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide (CID 71852476) is 2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide?
The canonical SMILES for 2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide is CC(C)COC1CCN(CCS(N)(=O)=O)C1.
What is the InChIKey of 2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide?
The InChIKey is UPFTZIPBPICXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9(2)8-15-10-3-4-12(7-10)5-6-16(11,13)14/h9-10H,3-8H2,1-2H3,(H2,11,13,14).
What are the key properties of 2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide?
2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 71852476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).