2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine

C8H18N2O2S — CID 82077362

IUPAC2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine
SMILESCC(C)(N)CS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N2O2S/c1-8(2,9)7-13(11,12)10-5-3-4-6-10/h3-7,9H2,1-2H3
InChIKeyPMDASSOMADVTLI-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.15
Rot. Bonds3

About 2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine

2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine (PubChem CID 82077362) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine
PubChem CID82077362
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine
SMILESCC(C)(N)CS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N2O2S/c1-8(2,9)7-13(11,12)10-5-3-4-6-10/h3-7,9H2,1-2H3
InChIKeyPMDASSOMADVTLI-UHFFFAOYSA-N
XLogP0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine?
The IUPAC name of 2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine (CID 82077362) is 2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine.
What is the SMILES notation for 2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine?
The canonical SMILES for 2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine is CC(C)(N)CS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine?
The InChIKey is PMDASSOMADVTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(2,9)7-13(11,12)10-5-3-4-6-10/h3-7,9H2,1-2H3.
What are the key properties of 2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine?
2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine has a molecular weight of 206.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-1-ylsulfonylpropan-2-amine is sourced from PubChem (CID 82077362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).