4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol

C14H23N3O3S — CID 103306620

IUPAC4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol
SMILESCCCNc1cccnc1S(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C14H23N3O3S/c1-3-8-15-12-5-4-9-16-13(12)21(19,20)17-10-6-14(2,18)7-11-17/h4-5,9,15,18H,3,6-8,10-11H2,1-2H3
InChIKeyMRZRXOOUJWBSHK-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.44
Rot. Bonds5

About 4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol

4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol (PubChem CID 103306620) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol
PubChem CID103306620
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol
SMILESCCCNc1cccnc1S(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C14H23N3O3S/c1-3-8-15-12-5-4-9-16-13(12)21(19,20)17-10-6-14(2,18)7-11-17/h4-5,9,15,18H,3,6-8,10-11H2,1-2H3
InChIKeyMRZRXOOUJWBSHK-UHFFFAOYSA-N
XLogP1.44
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol (CID 103306620) is 4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol is CCCNc1cccnc1S(=O)(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol?
The InChIKey is MRZRXOOUJWBSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-8-15-12-5-4-9-16-13(12)21(19,20)17-10-6-14(2,18)7-11-17/h4-5,9,15,18H,3,6-8,10-11H2,1-2H3.
What are the key properties of 4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol?
4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol has a molecular weight of 313.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol is sourced from PubChem (CID 103306620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).