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

C13H21N3O2S — CID 5268149

IUPACN-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCCCCNc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C13H21N3O2S/c1-2-3-8-14-13-7-6-12(11-15-13)19(17,18)16-9-4-5-10-16/h6-7,11H,2-5,8-10H2,1H3,(H,14,15)
InChIKeyLPGIFJSTTGGMLG-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.08
Rot. Bonds6

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

N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 5268149) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID5268149
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCCCCNc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C13H21N3O2S/c1-2-3-8-14-13-7-6-12(11-15-13)19(17,18)16-9-4-5-10-16/h6-7,11H,2-5,8-10H2,1H3,(H,14,15)
InChIKeyLPGIFJSTTGGMLG-UHFFFAOYSA-N
XLogP2.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
5-piperidin-1-ylsulfonyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 133280931
2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol
CID 133384817
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 62152207
N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 5267894
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701
2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol
CID 4792805
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 5268149) is N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is CCCCNc1ccc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is LPGIFJSTTGGMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-3-8-14-13-7-6-12(11-15-13)19(17,18)16-9-4-5-10-16/h6-7,11H,2-5,8-10H2,1H3,(H,14,15).
What are the key properties of N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 283.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 5268149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).