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

C14H24N4O2S — CID 63175065

IUPAC5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2ccc(NC)nc2)C1
InChIInChI=1S/C14H24N4O2S/c1-4-17(5-2)12-8-9-18(11-12)21(19,20)13-6-7-14(15-3)16-10-13/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,15,16)
InChIKeyYAUBFZIJKFGWFR-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.23
Rot. Bonds6

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

5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine (PubChem CID 63175065) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
PubChem CID63175065
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2ccc(NC)nc2)C1
InChIInChI=1S/C14H24N4O2S/c1-4-17(5-2)12-8-9-18(11-12)21(19,20)13-6-7-14(15-3)16-10-13/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,15,16)
InChIKeyYAUBFZIJKFGWFR-UHFFFAOYSA-N
XLogP1.23
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 55158021
N-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 62146923
1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63169046
3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 114681627
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine
CID 63174751
1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63175057
N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66369934
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 63513521
1-[[6-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 55130406
1-(4-amino-3-fluorophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 82846137
[3-(diethylamino)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 63175158
5-[(3R)-3-(diethylamino)pyrrolidin-1-yl]sulfonyl-2-fluorobenzoic acid
CID 124683086

Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine?
The IUPAC name of 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine (CID 63175065) is 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine?
The canonical SMILES for 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine is CCN(CC)C1CCN(S(=O)(=O)c2ccc(NC)nc2)C1.
What is the InChIKey of 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine?
The InChIKey is YAUBFZIJKFGWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-17(5-2)12-8-9-18(11-12)21(19,20)13-6-7-14(15-3)16-10-13/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,15,16).
What are the key properties of 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine?
5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine is sourced from PubChem (CID 63175065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).