[2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol

C10H16N2OS — CID 82508549

IUPAC[2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol
SMILESSCc1ccoc1CN1CCNCC1
InChIInChI=1S/C10H16N2OS/c14-8-9-1-6-13-10(9)7-12-4-2-11-3-5-12/h1,6,11,14H,2-5,7-8H2
InChIKeyPDWSPSCQVHTUSU-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.11
Rot. Bonds3

About [2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol

[2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol (PubChem CID 82508549) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is [2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol.

Molecular Properties

Compound Name[2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol
PubChem CID82508549
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name[2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol
SMILESSCc1ccoc1CN1CCNCC1
InChIInChI=1S/C10H16N2OS/c14-8-9-1-6-13-10(9)7-12-4-2-11-3-5-12/h1,6,11,14H,2-5,7-8H2
InChIKeyPDWSPSCQVHTUSU-UHFFFAOYSA-N
XLogP1.11
TPSA28.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-diazepan-1-ylmethyl)furan-3-carboxylic acid
CID 61397796
3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride
CID 50988437
1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine
CID 82511710
methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate
CID 43162349
[4-methyl-5-(piperazin-1-ylmethyl)furan-2-yl]methanethiol
CID 82509920
2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide
CID 63577489
4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol
CID 96806763
[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62437744
[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
CID 62423499
4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one
CID 82507803
8-(piperazin-1-ylmethyl)furo[2,3-f][1]benzofuran-4-ol
CID 117433511
N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62439241

Frequently Asked Questions

What is the IUPAC name of [2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol?
The IUPAC name of [2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol (CID 82508549) is [2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol.
What is the SMILES notation for [2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol?
The canonical SMILES for [2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol is SCc1ccoc1CN1CCNCC1.
What is the InChIKey of [2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol?
The InChIKey is PDWSPSCQVHTUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c14-8-9-1-6-13-10(9)7-12-4-2-11-3-5-12/h1,6,11,14H,2-5,7-8H2.
What are the key properties of [2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol?
[2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol has a molecular weight of 212.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol is sourced from PubChem (CID 82508549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).