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

C9H15N3S — CID 83847816

IUPAC1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine
SMILESCC(N)Cc1n[nH]c2c1CSCC2
InChIInChI=1S/C9H15N3S/c1-6(10)4-9-7-5-13-3-2-8(7)11-12-9/h6H,2-5,10H2,1H3,(H,11,12)
InChIKeyJPDNXPFJPCPKGP-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.09
Rot. Bonds2

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

1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine (PubChem CID 83847816) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine
PubChem CID83847816
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine
SMILESCC(N)Cc1n[nH]c2c1CSCC2
InChIInChI=1S/C9H15N3S/c1-6(10)4-9-7-5-13-3-2-8(7)11-12-9/h6H,2-5,10H2,1H3,(H,11,12)
InChIKeyJPDNXPFJPCPKGP-UHFFFAOYSA-N
XLogP1.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine (CID 83847816) is 1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine is CC(N)Cc1n[nH]c2c1CSCC2.
What is the InChIKey of 1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine?
The InChIKey is JPDNXPFJPCPKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(10)4-9-7-5-13-3-2-8(7)11-12-9/h6H,2-5,10H2,1H3,(H,11,12).
What are the key properties of 1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine?
1-(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 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 83847816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).