4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine

C10H17N3S — CID 103004599

IUPAC4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
SMILESCn1cc(CCC2CSCC2N)cn1
InChIInChI=1S/C10H17N3S/c1-13-5-8(4-12-13)2-3-9-6-14-7-10(9)11/h4-5,9-10H,2-3,6-7,11H2,1H3
InChIKeyGSOQFZDEJHJWGQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.04
Rot. Bonds3

About 4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine

4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine (PubChem CID 103004599) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
PubChem CID103004599
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
SMILESCn1cc(CCC2CSCC2N)cn1
InChIInChI=1S/C10H17N3S/c1-13-5-8(4-12-13)2-3-9-6-14-7-10(9)11/h4-5,9-10H,2-3,6-7,11H2,1H3
InChIKeyGSOQFZDEJHJWGQ-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]thiolan-3-amine
CID 103004598
N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine
CID 83196394
2-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103019561
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103019952
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentyl]methyl]cyclopropanamine
CID 103019932
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-methyl-4-propylpyrazole;propane
CID 155742221
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptyl]methyl]cyclopropanamine
CID 103020041
2-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentan-1-amine
CID 103004175
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine?
The IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine (CID 103004599) is 4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for 4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine?
The canonical SMILES for 4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine is Cn1cc(CCC2CSCC2N)cn1.
What is the InChIKey of 4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine?
The InChIKey is GSOQFZDEJHJWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-13-5-8(4-12-13)2-3-9-6-14-7-10(9)11/h4-5,9-10H,2-3,6-7,11H2,1H3.
What are the key properties of 4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine?
4-[2-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 103004599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).