N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C16H19N3O2S — CID 5268156

IUPACN-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2ccccc2)nc1)N1CCCC1
InChIInChI=1S/C16H19N3O2S/c20-22(21,19-10-4-5-11-19)15-8-9-16(18-13-15)17-12-14-6-2-1-3-7-14/h1-3,6-9,13H,4-5,10-12H2,(H,17,18)
InChIKeyPSTGKLKRKXYRHS-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.48
Rot. Bonds5

About N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 5268156) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID5268156
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2ccccc2)nc1)N1CCCC1
InChIInChI=1S/C16H19N3O2S/c20-22(21,19-10-4-5-11-19)15-8-9-16(18-13-15)17-12-14-6-2-1-3-7-14/h1-3,6-9,13H,4-5,10-12H2,(H,17,18)
InChIKeyPSTGKLKRKXYRHS-UHFFFAOYSA-N
XLogP2.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine
CID 70304486
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 55680935
N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
CID 30756951
N-[(2-methoxy-4-pyridinyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 24632061
N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2547545
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
1-phenyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)hydrazine
CID 5267961
N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2485199
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 5268156) is N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NCc2ccccc2)nc1)N1CCCC1.
What is the InChIKey of N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is PSTGKLKRKXYRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-22(21,19-10-4-5-11-19)15-8-9-16(18-13-15)17-12-14-6-2-1-3-7-14/h1-3,6-9,13H,4-5,10-12H2,(H,17,18).
What are the key properties of N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 317.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 5268156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).