5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine

C13H17N3O2S — CID 9251897

IUPAC5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
SMILESC#CCNc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C13H17N3O2S/c1-2-8-14-13-7-6-12(11-15-13)19(17,18)16-9-4-3-5-10-16/h1,6-7,11H,3-5,8-10H2,(H,14,15)
InChIKeyKOKFKUWHJOBFJV-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.30
Rot. Bonds4

About 5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine

5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine (PubChem CID 9251897) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
PubChem CID9251897
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
SMILESC#CCNc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C13H17N3O2S/c1-2-8-14-13-7-6-12(11-15-13)19(17,18)16-9-4-3-5-10-16/h1,6-7,11H,3-5,8-10H2,(H,14,15)
InChIKeyKOKFKUWHJOBFJV-UHFFFAOYSA-N
XLogP1.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
N-tert-butyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9024930
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 133332233
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
5-piperidin-1-ylsulfonyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 133280931
2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol
CID 4792805
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701
2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol
CID 133472179

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine?
The IUPAC name of 5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine (CID 9251897) is 5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine is C#CCNc1ccc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine?
The InChIKey is KOKFKUWHJOBFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-8-14-13-7-6-12(11-15-13)19(17,18)16-9-4-3-5-10-16/h1,6-7,11H,3-5,8-10H2,(H,14,15).
What are the key properties of 5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine?
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine has a molecular weight of 279.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine is sourced from PubChem (CID 9251897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).