2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

C15H23N3O2S — CID 115337222

IUPAC2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(C2CCS(=O)(=O)C2)nc2c1CCCC2
InChIInChI=1S/C15H23N3O2S/c1-2-8-16-15-12-5-3-4-6-13(12)17-14(18-15)11-7-9-21(19,20)10-11/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyJQGCWPHDFDVJPD-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.08
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 115337222) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID115337222
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(C2CCS(=O)(=O)C2)nc2c1CCCC2
InChIInChI=1S/C15H23N3O2S/c1-2-8-16-15-12-5-3-4-6-13(12)17-14(18-15)11-7-9-21(19,20)10-11/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyJQGCWPHDFDVJPD-UHFFFAOYSA-N
XLogP2.08
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 115337222) is 2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCCNc1nc(C2CCS(=O)(=O)C2)nc2c1CCCC2.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is JQGCWPHDFDVJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-8-16-15-12-5-3-4-6-13(12)17-14(18-15)11-7-9-21(19,20)10-11/h11H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 309.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 115337222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).