1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol

C13H21N3O3S — CID 81108857

IUPAC1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
SMILESCCNc1ccncc1S(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C13H21N3O3S/c1-3-15-11-4-7-14-10-12(11)20(18,19)16-8-5-13(2,17)6-9-16/h4,7,10,17H,3,5-6,8-9H2,1-2H3,(H,14,15)
InChIKeyBVJVZQAKPQHJTO-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.05
Rot. Bonds4

About 1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol

1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol (PubChem CID 81108857) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
PubChem CID81108857
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
SMILESCCNc1ccncc1S(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C13H21N3O3S/c1-3-15-11-4-7-14-10-12(11)20(18,19)16-8-5-13(2,17)6-9-16/h4,7,10,17H,3,5-6,8-9H2,1-2H3,(H,14,15)
InChIKeyBVJVZQAKPQHJTO-UHFFFAOYSA-N
XLogP1.05
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol (CID 81108857) is 1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol is CCNc1ccncc1S(=O)(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol?
The InChIKey is BVJVZQAKPQHJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-15-11-4-7-14-10-12(11)20(18,19)16-8-5-13(2,17)6-9-16/h4,7,10,17H,3,5-6,8-9H2,1-2H3,(H,14,15).
What are the key properties of 1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol?
1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol has a molecular weight of 299.40 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81108857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).