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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Related Compounds

N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
CID 67156708
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
4-(4-methylpiperazin-1-yl)-N-(1-naphthalen-1-ylethyl)thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
CID 67156592
N-[(2,3-difluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
CID 10322696
4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine
CID 126518807
[1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 50838545
1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
CID 130211179
[4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid
CID 90356558
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride
CID 23155798
1-methyl-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine;hydrochloride
CID 6602907
2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 28744763

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).