N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

C17H24N4O2S — CID 153125993

IUPACN-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1cc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2cc1C
InChIInChI=1S/C17H24N4O2S/c1-12-7-15-16(8-13(12)2)18-11-19-17(15)21-6-4-5-14(10-21)9-20-24(3,22)23/h7-8,11,14,20H,4-6,9-10H2,1-3H3
InChIKeyVVUQDQCMEMSRDC-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.01
Rot. Bonds4

About N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 153125993) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID153125993
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1cc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2cc1C
InChIInChI=1S/C17H24N4O2S/c1-12-7-15-16(8-13(12)2)18-11-19-17(15)21-6-4-5-14(10-21)9-20-24(3,22)23/h7-8,11,14,20H,4-6,9-10H2,1-3H3
InChIKeyVVUQDQCMEMSRDC-UHFFFAOYSA-N
XLogP2.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (CID 153125993) is N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is Cc1cc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2cc1C.
What is the InChIKey of N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is VVUQDQCMEMSRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12-7-15-16(8-13(12)2)18-11-19-17(15)21-6-4-5-14(10-21)9-20-24(3,22)23/h7-8,11,14,20H,4-6,9-10H2,1-3H3.
What are the key properties of N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6,7-dimethylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 153125993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).