5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine

C9H15N3S — CID 79950424

IUPAC5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine
SMILESCC1CC(NCc2cn[nH]c2)CS1
InChIInChI=1S/C9H15N3S/c1-7-2-9(6-13-7)10-3-8-4-11-12-5-8/h4-5,7,9-10H,2-3,6H2,1H3,(H,11,12)
InChIKeyBICJPAFTPRJTAY-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.39
Rot. Bonds3

About 5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine

5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine (PubChem CID 79950424) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine
PubChem CID79950424
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine
SMILESCC1CC(NCc2cn[nH]c2)CS1
InChIInChI=1S/C9H15N3S/c1-7-2-9(6-13-7)10-3-8-4-11-12-5-8/h4-5,7,9-10H,2-3,6H2,1H3,(H,11,12)
InChIKeyBICJPAFTPRJTAY-UHFFFAOYSA-N
XLogP1.39
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine?
The IUPAC name of 5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine (CID 79950424) is 5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine?
The canonical SMILES for 5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine is CC1CC(NCc2cn[nH]c2)CS1.
What is the InChIKey of 5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine?
The InChIKey is BICJPAFTPRJTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-2-9(6-13-7)10-3-8-4-11-12-5-8/h4-5,7,9-10H,2-3,6H2,1H3,(H,11,12).
What are the key properties of 5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine?
5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine has a molecular weight of 197.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 79950424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).