2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine

C19H25N5O2S — CID 12608464

IUPAC2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(N)c4c(n3)CCCC4)CC2)cc1
InChIInChI=1S/C19H25N5O2S/c1-14-6-8-15(9-7-14)27(25,26)24-12-10-23(11-13-24)19-21-17-5-3-2-4-16(17)18(20)22-19/h6-9H,2-5,10-13H2,1H3,(H2,20,21,22)
InChIKeyXERSTLUJLYZJFW-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.76
Rot. Bonds3

About 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 12608464) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID12608464
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(N)c4c(n3)CCCC4)CC2)cc1
InChIInChI=1S/C19H25N5O2S/c1-14-6-8-15(9-7-14)27(25,26)24-12-10-23(11-13-24)19-21-17-5-3-2-4-16(17)18(20)22-19/h6-9H,2-5,10-13H2,1H3,(H2,20,21,22)
InChIKeyXERSTLUJLYZJFW-UHFFFAOYSA-N
XLogP1.76
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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Related Compounds

4-N,5-dimethyl-4-N-(4-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine-4,6-diamine
CID 21101355
N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42870903
N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42870910
6-(4-methylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 42870892
4-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133472715
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine
CID 36551128
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 2822709
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 12608464) is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1ccc(S(=O)(=O)N2CCN(c3nc(N)c4c(n3)CCCC4)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is XERSTLUJLYZJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-14-6-8-15(9-7-14)27(25,26)24-12-10-23(11-13-24)19-21-17-5-3-2-4-16(17)18(20)22-19/h6-9H,2-5,10-13H2,1H3,(H2,20,21,22).
What are the key properties of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 387.51 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 12608464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).