S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine

C12H16N4S2 — CID 161254865

IUPACS-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine
SMILESCN1CCN(c2nccc3sc(SN)cc23)CC1
InChIInChI=1S/C12H16N4S2/c1-15-4-6-16(7-5-15)12-9-8-11(18-13)17-10(9)2-3-14-12/h2-3,8H,4-7,13H2,1H3
InChIKeyWRMWXYBGJYSXLG-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.01
Rot. Bonds2

About S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine

S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine (PubChem CID 161254865) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine
PubChem CID161254865
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC NameS-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine
SMILESCN1CCN(c2nccc3sc(SN)cc23)CC1
InChIInChI=1S/C12H16N4S2/c1-15-4-6-16(7-5-15)12-9-8-11(18-13)17-10(9)2-3-14-12/h2-3,8H,4-7,13H2,1H3
InChIKeyWRMWXYBGJYSXLG-UHFFFAOYSA-N
XLogP2.01
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine?
The IUPAC name of S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine (CID 161254865) is S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine.
What is the SMILES notation for S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine?
The canonical SMILES for S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine is CN1CCN(c2nccc3sc(SN)cc23)CC1.
What is the InChIKey of S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine?
The InChIKey is WRMWXYBGJYSXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-15-4-6-16(7-5-15)12-9-8-11(18-13)17-10(9)2-3-14-12/h2-3,8H,4-7,13H2,1H3.
What are the key properties of S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine?
S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine has a molecular weight of 280.42 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine is sourced from PubChem (CID 161254865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).