1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide

C14H22N4O2S — CID 138053509

IUPAC1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide
SMILESCc1nc2c(c(NCC3(S(N)(=O)=O)CCC3)n1)CCCC2
InChIInChI=1S/C14H22N4O2S/c1-10-17-12-6-3-2-5-11(12)13(18-10)16-9-14(7-4-8-14)21(15,19)20/h2-9H2,1H3,(H2,15,19,20)(H,16,17,18)
InChIKeyGQCCOYRLEFFLNE-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.29
Rot. Bonds4

About 1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide

1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide (PubChem CID 138053509) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide.

Molecular Properties

Compound Name1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide
PubChem CID138053509
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide
SMILESCc1nc2c(c(NCC3(S(N)(=O)=O)CCC3)n1)CCCC2
InChIInChI=1S/C14H22N4O2S/c1-10-17-12-6-3-2-5-11(12)13(18-10)16-9-14(7-4-8-14)21(15,19)20/h2-9H2,1H3,(H2,15,19,20)(H,16,17,18)
InChIKeyGQCCOYRLEFFLNE-UHFFFAOYSA-N
XLogP1.29
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide?
The IUPAC name of 1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide (CID 138053509) is 1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide.
What is the SMILES notation for 1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide?
The canonical SMILES for 1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide is Cc1nc2c(c(NCC3(S(N)(=O)=O)CCC3)n1)CCCC2.
What is the InChIKey of 1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide?
The InChIKey is GQCCOYRLEFFLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10-17-12-6-3-2-5-11(12)13(18-10)16-9-14(7-4-8-14)21(15,19)20/h2-9H2,1H3,(H2,15,19,20)(H,16,17,18).
What are the key properties of 1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide?
1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide is sourced from PubChem (CID 138053509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).