2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine

C9H15N3S — CID 82398654

IUPAC2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine
SMILESCC(C)(N)c1n[nH]c2c1CSCC2
InChIInChI=1S/C9H15N3S/c1-9(2,10)8-6-5-13-4-3-7(6)11-12-8/h3-5,10H2,1-2H3,(H,11,12)
InChIKeyIOLDAGRXFKIHKD-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.39
Rot. Bonds1

About 2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine

2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine (PubChem CID 82398654) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine
PubChem CID82398654
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine
SMILESCC(C)(N)c1n[nH]c2c1CSCC2
InChIInChI=1S/C9H15N3S/c1-9(2,10)8-6-5-13-4-3-7(6)11-12-8/h3-5,10H2,1-2H3,(H,11,12)
InChIKeyIOLDAGRXFKIHKD-UHFFFAOYSA-N
XLogP1.39
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine?
The IUPAC name of 2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine (CID 82398654) is 2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine is CC(C)(N)c1n[nH]c2c1CSCC2.
What is the InChIKey of 2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine?
The InChIKey is IOLDAGRXFKIHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-9(2,10)8-6-5-13-4-3-7(6)11-12-8/h3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine?
2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine has a molecular weight of 197.31 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 82398654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).