5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine

C12H20N4O2S — CID 55158021

IUPAC5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
SMILESCNc1ccc(S(=O)(=O)N2CCC(N(C)C)C2)cn1
InChIInChI=1S/C12H20N4O2S/c1-13-12-5-4-11(8-14-12)19(17,18)16-7-6-10(9-16)15(2)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,13,14)
InChIKeyIOLXXPFUQPRQGJ-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.45
Rot. Bonds4

About 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine

5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine (PubChem CID 55158021) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
PubChem CID55158021
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
SMILESCNc1ccc(S(=O)(=O)N2CCC(N(C)C)C2)cn1
InChIInChI=1S/C12H20N4O2S/c1-13-12-5-4-11(8-14-12)19(17,18)16-7-6-10(9-16)15(2)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,13,14)
InChIKeyIOLXXPFUQPRQGJ-UHFFFAOYSA-N
XLogP0.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 63175065
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine
CID 63174751
N-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 62146923
3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 114681627
N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66369934
5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115630482
N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 63274885
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657
N-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 62157663
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 65324662
N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine
CID 43586342
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 63174689

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine?
The IUPAC name of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine (CID 55158021) is 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine?
The canonical SMILES for 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine is CNc1ccc(S(=O)(=O)N2CCC(N(C)C)C2)cn1.
What is the InChIKey of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine?
The InChIKey is IOLXXPFUQPRQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-13-12-5-4-11(8-14-12)19(17,18)16-7-6-10(9-16)15(2)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,13,14).
What are the key properties of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine?
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine has a molecular weight of 284.39 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine is sourced from PubChem (CID 55158021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).