6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol

C14H16ClN5OS — CID 142622814

IUPAC6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol
SMILESOc1ccc(NSN2CCN(c3ccc(Cl)cn3)CC2)nc1
InChIInChI=1S/C14H16ClN5OS/c15-11-1-4-14(17-9-11)19-5-7-20(8-6-19)22-18-13-3-2-12(21)10-16-13/h1-4,9-10,21H,5-8H2,(H,16,18)
InChIKeyBELPYEKMAKXKBJ-UHFFFAOYSA-N
MW337.84 g/mol
LogP2.63
Rot. Bonds4

About 6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol

6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol (PubChem CID 142622814) has the molecular formula C14H16ClN5OS and a molecular weight of 337.84 g/mol. Its IUPAC name is 6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol.

Molecular Properties

Compound Name6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol
PubChem CID142622814
Molecular FormulaC14H16ClN5OS
Molecular Weight337.84 g/mol
Exact Mass337.08
IUPAC Name6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol
SMILESOc1ccc(NSN2CCN(c3ccc(Cl)cn3)CC2)nc1
InChIInChI=1S/C14H16ClN5OS/c15-11-1-4-14(17-9-11)19-5-7-20(8-6-19)22-18-13-3-2-12(21)10-16-13/h1-4,9-10,21H,5-8H2,(H,16,18)
InChIKeyBELPYEKMAKXKBJ-UHFFFAOYSA-N
XLogP2.63
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.84
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol?
The IUPAC name of 6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol (CID 142622814) is 6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol.
What is the SMILES notation for 6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol?
The canonical SMILES for 6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol is Oc1ccc(NSN2CCN(c3ccc(Cl)cn3)CC2)nc1.
What is the InChIKey of 6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol?
The InChIKey is BELPYEKMAKXKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5OS/c15-11-1-4-14(17-9-11)19-5-7-20(8-6-19)22-18-13-3-2-12(21)10-16-13/h1-4,9-10,21H,5-8H2,(H,16,18).
What are the key properties of 6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol?
6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol has a molecular weight of 337.84 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfanylamino]pyridin-3-ol is sourced from PubChem (CID 142622814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).