1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol

C13H20ClN3O3S — CID 64608688

IUPAC1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
SMILESCCCNc1ncc(S(=O)(=O)N2CCC(O)CC2)cc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-2-5-15-13-12(14)8-11(9-16-13)21(19,20)17-6-3-10(18)4-7-17/h8-10,18H,2-7H2,1H3,(H,15,16)
InChIKeyDICSSBLLKAQZTA-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.70
Rot. Bonds5

About 1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol

1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol (PubChem CID 64608688) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
PubChem CID64608688
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
SMILESCCCNc1ncc(S(=O)(=O)N2CCC(O)CC2)cc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-2-5-15-13-12(14)8-11(9-16-13)21(19,20)17-6-3-10(18)4-7-17/h8-10,18H,2-7H2,1H3,(H,15,16)
InChIKeyDICSSBLLKAQZTA-UHFFFAOYSA-N
XLogP1.70
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 115966945
1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol
CID 62142988
3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601309
1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol
CID 62144901
5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 64606620
3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64602239
(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 103834699
5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62153138
3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64608915
3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 64601331
5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 64602431
5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 104829834

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol?
The IUPAC name of 1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol (CID 64608688) is 1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol.
What is the SMILES notation for 1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol?
The canonical SMILES for 1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol is CCCNc1ncc(S(=O)(=O)N2CCC(O)CC2)cc1Cl.
What is the InChIKey of 1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol?
The InChIKey is DICSSBLLKAQZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-2-5-15-13-12(14)8-11(9-16-13)21(19,20)17-6-3-10(18)4-7-17/h8-10,18H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol?
1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol has a molecular weight of 333.84 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol is sourced from PubChem (CID 64608688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).