N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine

C18H24N4O3S — CID 133311667

IUPACN-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine
SMILESO=S(=O)(C1CCOCC1)N1CCC(Nc2ncnc3ccccc23)CC1
InChIInChI=1S/C18H24N4O3S/c23-26(24,15-7-11-25-12-8-15)22-9-5-14(6-10-22)21-18-16-3-1-2-4-17(16)19-13-20-18/h1-4,13-15H,5-12H2,(H,19,20,21)
InChIKeyNJHKZUDJDXWEDW-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.01
Rot. Bonds4

About N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine

N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine (PubChem CID 133311667) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine
PubChem CID133311667
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine
SMILESO=S(=O)(C1CCOCC1)N1CCC(Nc2ncnc3ccccc23)CC1
InChIInChI=1S/C18H24N4O3S/c23-26(24,15-7-11-25-12-8-15)22-9-5-14(6-10-22)21-18-16-3-1-2-4-17(16)19-13-20-18/h1-4,13-15H,5-12H2,(H,19,20,21)
InChIKeyNJHKZUDJDXWEDW-UHFFFAOYSA-N
XLogP2.01
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-oxothian-4-yl)quinazolin-4-amine
CID 104576518
2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one
CID 39165581
6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133311673
4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide
CID 61043396
N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine
CID 103765143
N-(1-benzylsulfonylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 133306585
7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine
CID 24632856
3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311648
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311693
N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
CID 20999363
2-fluoro-6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]benzonitrile
CID 133311635
N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine
CID 143957231

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine?
The IUPAC name of N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine (CID 133311667) is N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine.
What is the SMILES notation for N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine?
The canonical SMILES for N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine is O=S(=O)(C1CCOCC1)N1CCC(Nc2ncnc3ccccc23)CC1.
What is the InChIKey of N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine?
The InChIKey is NJHKZUDJDXWEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c23-26(24,15-7-11-25-12-8-15)22-9-5-14(6-10-22)21-18-16-3-1-2-4-17(16)19-13-20-18/h1-4,13-15H,5-12H2,(H,19,20,21).
What are the key properties of N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine?
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine has a molecular weight of 376.48 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine is sourced from PubChem (CID 133311667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).