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

C14H24N4O2S — CID 63174751

IUPAC5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine
SMILESCCCNc1ccc(S(=O)(=O)N2CCC(N(C)C)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-4-8-15-14-6-5-13(10-16-14)21(19,20)18-9-7-12(11-18)17(2)3/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,15,16)
InChIKeyXWCKEOOCGOBBFD-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.23
Rot. Bonds6

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

5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine (PubChem CID 63174751) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine
PubChem CID63174751
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine
SMILESCCCNc1ccc(S(=O)(=O)N2CCC(N(C)C)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-4-8-15-14-6-5-13(10-16-14)21(19,20)18-9-7-12(11-18)17(2)3/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,15,16)
InChIKeyXWCKEOOCGOBBFD-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
1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 62152207
5-(2-ethylmorpholin-4-yl)sulfonyl-N-propylpyridin-2-amine
CID 62146457
5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 63175065
1-[[6-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 55130406
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62156705
N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide
CID 62147366
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
N-butyl-N-cyclopropyl-6-(propylamino)pyridine-3-sulfonamide
CID 62156743
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626896

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine?
The IUPAC name of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine (CID 63174751) is 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine?
The canonical SMILES for 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine is CCCNc1ccc(S(=O)(=O)N2CCC(N(C)C)C2)cn1.
What is the InChIKey of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine?
The InChIKey is XWCKEOOCGOBBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-8-15-14-6-5-13(10-16-14)21(19,20)18-9-7-12(11-18)17(2)3/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,15,16).
What are the key properties of 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine?
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-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-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-propylpyridin-2-amine is sourced from PubChem (CID 63174751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).