2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine

C10H17N3OS — CID 104755787

IUPAC2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCn1cc(SCC(N)C2CCOC2)cn1
InChIInChI=1S/C10H17N3OS/c1-13-5-9(4-12-13)15-7-10(11)8-2-3-14-6-8/h4-5,8,10H,2-3,6-7,11H2,1H3
InChIKeyPTZYQIMVUQNBMS-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.88
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine

2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104755787) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
PubChem CID104755787
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCn1cc(SCC(N)C2CCOC2)cn1
InChIInChI=1S/C10H17N3OS/c1-13-5-9(4-12-13)15-7-10(11)8-2-3-14-6-8/h4-5,8,10H,2-3,6-7,11H2,1H3
InChIKeyPTZYQIMVUQNBMS-UHFFFAOYSA-N
XLogP0.88
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 104755777
1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755249
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755803
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine
CID 104755690
2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66144366
(1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol
CID 61279320
2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine
CID 107049452
1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 104755786
N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide
CID 104755373
3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
CID 64900094
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64627788
N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115723445

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine (CID 104755787) is 2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine is Cn1cc(SCC(N)C2CCOC2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is PTZYQIMVUQNBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-13-5-9(4-12-13)15-7-10(11)8-2-3-14-6-8/h4-5,8,10H,2-3,6-7,11H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 227.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104755787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).