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

C11H17N3O2S — CID 116633134

IUPAC2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCC(c1ncc2c(n1)CCCC2N)S(C)(=O)=O
InChIInChI=1S/C11H17N3O2S/c1-7(17(2,15)16)11-13-6-8-9(12)4-3-5-10(8)14-11/h6-7,9H,3-5,12H2,1-2H3
InChIKeyUVXLBFQVCRNEFY-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.92
Rot. Bonds2

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

2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 116633134) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID116633134
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCC(c1ncc2c(n1)CCCC2N)S(C)(=O)=O
InChIInChI=1S/C11H17N3O2S/c1-7(17(2,15)16)11-13-6-8-9(12)4-3-5-10(8)14-11/h6-7,9H,3-5,12H2,1-2H3
InChIKeyUVXLBFQVCRNEFY-UHFFFAOYSA-N
XLogP0.92
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116633138
2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 64533818
2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384930
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008871
2-N,2-N-diethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 62008280
2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107925606
2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008870
N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009095
2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine
CID 107384968
2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116775320
2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384948
2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009060

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 116633134) is 2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is CC(c1ncc2c(n1)CCCC2N)S(C)(=O)=O.
What is the InChIKey of 2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is UVXLBFQVCRNEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(17(2,15)16)11-13-6-8-9(12)4-3-5-10(8)14-11/h6-7,9H,3-5,12H2,1-2H3.
What are the key properties of 2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 255.34 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 116633134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).