3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine

C11H17N3O2S — CID 79188499

IUPAC3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCC1CN(S(=O)(=O)c2cccnc2N)CC1C
InChIInChI=1S/C11H17N3O2S/c1-8-6-14(7-9(8)2)17(15,16)10-4-3-5-13-11(10)12/h3-5,8-9H,6-7H2,1-2H3,(H2,12,13)
InChIKeyMSCGHOCNNBACGQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.94
Rot. Bonds2

About 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine

3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 79188499) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
PubChem CID79188499
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCC1CN(S(=O)(=O)c2cccnc2N)CC1C
InChIInChI=1S/C11H17N3O2S/c1-8-6-14(7-9(8)2)17(15,16)10-4-3-5-13-11(10)12/h3-5,8-9H,6-7H2,1-2H3,(H2,12,13)
InChIKeyMSCGHOCNNBACGQ-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine (CID 79188499) is 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine is CC1CN(S(=O)(=O)c2cccnc2N)CC1C.
What is the InChIKey of 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is MSCGHOCNNBACGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-6-14(7-9(8)2)17(15,16)10-4-3-5-13-11(10)12/h3-5,8-9H,6-7H2,1-2H3,(H2,12,13).
What are the key properties of 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 255.34 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 79188499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).