3-(2-methylpropyl)pyrrolidine-1-sulfonamide

C8H18N2O2S — CID 71986318

IUPAC3-(2-methylpropyl)pyrrolidine-1-sulfonamide
SMILESCC(C)CC1CCN(S(N)(=O)=O)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)5-8-3-4-10(6-8)13(9,11)12/h7-8H,3-6H2,1-2H3,(H2,9,11,12)
InChIKeyQDCINAVQPBJNKJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.56
Rot. Bonds3

About 3-(2-methylpropyl)pyrrolidine-1-sulfonamide

3-(2-methylpropyl)pyrrolidine-1-sulfonamide (PubChem CID 71986318) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-(2-methylpropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(2-methylpropyl)pyrrolidine-1-sulfonamide
PubChem CID71986318
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name3-(2-methylpropyl)pyrrolidine-1-sulfonamide
SMILESCC(C)CC1CCN(S(N)(=O)=O)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)5-8-3-4-10(6-8)13(9,11)12/h7-8H,3-6H2,1-2H3,(H2,9,11,12)
InChIKeyQDCINAVQPBJNKJ-UHFFFAOYSA-N
XLogP0.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-(2-methylpropyl)pyrrolidine-1-sulfonamide (CID 71986318) is 3-(2-methylpropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(2-methylpropyl)pyrrolidine-1-sulfonamide is CC(C)CC1CCN(S(N)(=O)=O)C1.
What is the InChIKey of 3-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The InChIKey is QDCINAVQPBJNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(2)5-8-3-4-10(6-8)13(9,11)12/h7-8H,3-6H2,1-2H3,(H2,9,11,12).
What are the key properties of 3-(2-methylpropyl)pyrrolidine-1-sulfonamide?
3-(2-methylpropyl)pyrrolidine-1-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 71986318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).