2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine

C11H17N3O2S — CID 115275215

IUPAC2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine
SMILESCC1(C)C(N)CCN1S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H17N3O2S/c1-11(2)9(12)6-8-14(11)17(15,16)10-5-3-4-7-13-10/h3-5,7,9H,6,8,12H2,1-2H3
InChIKeyXGLXRBHDTZEAOU-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.58
Rot. Bonds2

About 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine

2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine (PubChem CID 115275215) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine
PubChem CID115275215
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine
SMILESCC1(C)C(N)CCN1S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H17N3O2S/c1-11(2)9(12)6-8-14(11)17(15,16)10-5-3-4-7-13-10/h3-5,7,9H,6,8,12H2,1-2H3
InChIKeyXGLXRBHDTZEAOU-UHFFFAOYSA-N
XLogP0.58
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 91660222
2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one
CID 115275101
(3S)-1-pyridin-2-ylsulfonylpiperidin-3-amine
CID 86331837
(3S,4S)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine
CID 177300179
1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-3-pyridin-2-ylpropan-1-one
CID 115275314
(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
CID 86331843
4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride
CID 68998550
cyclobutane;pyridine-2-sulfonamide
CID 175429056
2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-amine
CID 115275208
CID 175476137
CID 175476137
1-pyridin-2-ylsulfonyl-1,4-diazepane
CID 86784566
5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one
CID 3086699

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine?
The IUPAC name of 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine (CID 115275215) is 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine?
The canonical SMILES for 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine is CC1(C)C(N)CCN1S(=O)(=O)c1ccccn1.
What is the InChIKey of 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine?
The InChIKey is XGLXRBHDTZEAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-11(2)9(12)6-8-14(11)17(15,16)10-5-3-4-7-13-10/h3-5,7,9H,6,8,12H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine?
2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine has a molecular weight of 255.34 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 115275215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).