4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine

C10H17N3S — CID 103004598

IUPAC4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine
SMILESCn1nccc1CCC1CSCC1N
InChIInChI=1S/C10H17N3S/c1-13-9(4-5-12-13)3-2-8-6-14-7-10(8)11/h4-5,8,10H,2-3,6-7,11H2,1H3
InChIKeyOTVJGCUZXPKNMZ-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.04
Rot. Bonds3

About 4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine

4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine (PubChem CID 103004598) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine
PubChem CID103004598
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine
SMILESCn1nccc1CCC1CSCC1N
InChIInChI=1S/C10H17N3S/c1-13-9(4-5-12-13)3-2-8-6-14-7-10(8)11/h4-5,8,10H,2-3,6-7,11H2,1H3
InChIKeyOTVJGCUZXPKNMZ-UHFFFAOYSA-N
XLogP1.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine
CID 103004607
4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 103004599
[4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methanamine
CID 103019741
N-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103004400
N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine
CID 103020025
4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxylic acid
CID 103019597
5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole
CID 103013921
5-(iodomethyl)-1-methylpyrazole
CID 126698907
5-(bromomethyl)-1-methylpyrazole
CID 59589503
5-[2-(5-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)ethyl]-1-methylpyrazole
CID 103013891
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239
2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
CID 103015057

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine?
The IUPAC name of 4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine (CID 103004598) is 4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for 4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine?
The canonical SMILES for 4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine is Cn1nccc1CCC1CSCC1N.
What is the InChIKey of 4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine?
The InChIKey is OTVJGCUZXPKNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-13-9(4-5-12-13)3-2-8-6-14-7-10(8)11/h4-5,8,10H,2-3,6-7,11H2,1H3.
What are the key properties of 4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine?
4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine has a molecular weight of 211.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 103004598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).