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

C9H15N3S — CID 102671469

IUPAC2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine
SMILESCC1SCCC1NCc1ccn[nH]1
InChIInChI=1S/C9H15N3S/c1-7-9(3-5-13-7)10-6-8-2-4-11-12-8/h2,4,7,9-10H,3,5-6H2,1H3,(H,11,12)
InChIKeyMKVPUKJTVCUWKE-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.39
Rot. Bonds3

About 2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine

2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine (PubChem CID 102671469) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine
PubChem CID102671469
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine
SMILESCC1SCCC1NCc1ccn[nH]1
InChIInChI=1S/C9H15N3S/c1-7-9(3-5-13-7)10-6-8-2-4-11-12-8/h2,4,7,9-10H,3,5-6H2,1H3,(H,11,12)
InChIKeyMKVPUKJTVCUWKE-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 2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine (CID 102671469) is 2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine is CC1SCCC1NCc1ccn[nH]1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine?
The InChIKey is MKVPUKJTVCUWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-9(3-5-13-7)10-6-8-2-4-11-12-8/h2,4,7,9-10H,3,5-6H2,1H3,(H,11,12).
What are the key properties of 2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine?
2-methyl-N-(1H-pyrazol-5-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 2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 102671469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).