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

C8H13N3S — CID 60999660

IUPACN-(1H-pyrazol-4-ylmethyl)thiolan-3-amine
SMILESc1n[nH]cc1CNC1CCSC1
InChIInChI=1S/C8H13N3S/c1-2-12-6-8(1)9-3-7-4-10-11-5-7/h4-5,8-9H,1-3,6H2,(H,10,11)
InChIKeySRPZEGJFTVDLDK-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.00
Rot. Bonds3

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

N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine (PubChem CID 60999660) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)thiolan-3-amine
PubChem CID60999660
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-(1H-pyrazol-4-ylmethyl)thiolan-3-amine
SMILESc1n[nH]cc1CNC1CCSC1
InChIInChI=1S/C8H13N3S/c1-2-12-6-8(1)9-3-7-4-10-11-5-7/h4-5,8-9H,1-3,6H2,(H,10,11)
InChIKeySRPZEGJFTVDLDK-UHFFFAOYSA-N
XLogP1.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine (CID 60999660) is N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine is c1n[nH]cc1CNC1CCSC1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine?
The InChIKey is SRPZEGJFTVDLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-12-6-8(1)9-3-7-4-10-11-5-7/h4-5,8-9H,1-3,6H2,(H,10,11).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine?
N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine has a molecular weight of 183.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 60999660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).