1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine

C13H21N3O2S — CID 79187205

IUPAC1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(S(=O)(=O)N2CC(C)C(C)C2)nc1
InChIInChI=1S/C13H21N3O2S/c1-10-8-16(9-11(10)2)19(17,18)13-5-4-12(6-14-3)7-15-13/h4-5,7,10-11,14H,6,8-9H2,1-3H3
InChIKeyPOLFNZBXPARDRY-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.08
Rot. Bonds4

About 1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine

1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 79187205) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine
PubChem CID79187205
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(S(=O)(=O)N2CC(C)C(C)C2)nc1
InChIInChI=1S/C13H21N3O2S/c1-10-8-16(9-11(10)2)19(17,18)13-5-4-12(6-14-3)7-15-13/h4-5,7,10-11,14H,6,8-9H2,1-3H3
InChIKeyPOLFNZBXPARDRY-UHFFFAOYSA-N
XLogP1.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine (CID 79187205) is 1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine is CNCc1ccc(S(=O)(=O)N2CC(C)C(C)C2)nc1.
What is the InChIKey of 1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is POLFNZBXPARDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-8-16(9-11(10)2)19(17,18)13-5-4-12(6-14-3)7-15-13/h4-5,7,10-11,14H,6,8-9H2,1-3H3.
What are the key properties of 1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine?
1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 283.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 79187205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).