[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol

C14H23N3O3S — CID 62164530

IUPAC[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol
SMILESCCCNc1cc(S(=O)(=O)N2CCC(CO)CC2)ccn1
InChIInChI=1S/C14H23N3O3S/c1-2-6-15-14-10-13(3-7-16-14)21(19,20)17-8-4-12(11-18)5-9-17/h3,7,10,12,18H,2,4-6,8-9,11H2,1H3,(H,15,16)
InChIKeyRDOIGHHWXFKPNC-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.30
Rot. Bonds6

About [1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol

[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol (PubChem CID 62164530) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is [1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol
PubChem CID62164530
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol
SMILESCCCNc1cc(S(=O)(=O)N2CCC(CO)CC2)ccn1
InChIInChI=1S/C14H23N3O3S/c1-2-6-15-14-10-13(3-7-16-14)21(19,20)17-8-4-12(11-18)5-9-17/h3,7,10,12,18H,2,4-6,8-9,11H2,1H3,(H,15,16)
InChIKeyRDOIGHHWXFKPNC-UHFFFAOYSA-N
XLogP1.30
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol (CID 62164530) is [1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol is CCCNc1cc(S(=O)(=O)N2CCC(CO)CC2)ccn1.
What is the InChIKey of [1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol?
The InChIKey is RDOIGHHWXFKPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-6-15-14-10-13(3-7-16-14)21(19,20)17-8-4-12(11-18)5-9-17/h3,7,10,12,18H,2,4-6,8-9,11H2,1H3,(H,15,16).
What are the key properties of [1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol?
[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol has a molecular weight of 313.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol is sourced from PubChem (CID 62164530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).