2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine

C14H23N3O2S — CID 116633138

IUPAC2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(C(C)S(C)(=O)=O)ncc21
InChIInChI=1S/C14H23N3O2S/c1-4-8-15-12-6-5-7-13-11(12)9-16-14(17-13)10(2)20(3,18)19/h9-10,12,15H,4-8H2,1-3H3
InChIKeyPJJHNGPXRAIPAF-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.96
Rot. Bonds5

About 2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine

2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 116633138) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID116633138
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(C(C)S(C)(=O)=O)ncc21
InChIInChI=1S/C14H23N3O2S/c1-4-8-15-12-6-5-7-13-11(12)9-16-14(17-13)10(2)20(3,18)19/h9-10,12,15H,4-8H2,1-3H3
InChIKeyPJJHNGPXRAIPAF-UHFFFAOYSA-N
XLogP1.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728342
N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009095
2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116633134
N-propyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009879
2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65414221
2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 106815190
N-propyl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385465
N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009694
2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385466
N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728333
2-(1-ethoxyethyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385252
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 103150233

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 116633138) is 2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is CCCNC1CCCc2nc(C(C)S(C)(=O)=O)ncc21.
What is the InChIKey of 2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is PJJHNGPXRAIPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-8-15-12-6-5-7-13-11(12)9-16-14(17-13)10(2)20(3,18)19/h9-10,12,15H,4-8H2,1-3H3.
What are the key properties of 2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 297.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 116633138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).