N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide

C14H24N4O3S — CID 133464534

IUPACN-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
SMILESCCOc1cc(N2CCC(N(CC)S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C14H24N4O3S/c1-4-18(22(3,19)20)12-6-8-17(9-7-12)13-10-14(21-5-2)16-11-15-13/h10-12H,4-9H2,1-3H3
InChIKeyIQWPTRTURQADQB-UHFFFAOYSA-N
MW328.44 g/mol
LogP1.13
Rot. Bonds6

About N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide

N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide (PubChem CID 133464534) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
PubChem CID133464534
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
SMILESCCOc1cc(N2CCC(N(CC)S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C14H24N4O3S/c1-4-18(22(3,19)20)12-6-8-17(9-7-12)13-10-14(21-5-2)16-11-15-13/h10-12H,4-9H2,1-3H3
InChIKeyIQWPTRTURQADQB-UHFFFAOYSA-N
XLogP1.13
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide (CID 133464534) is N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide is CCOc1cc(N2CCC(N(CC)S(C)(=O)=O)CC2)ncn1.
What is the InChIKey of N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide?
The InChIKey is IQWPTRTURQADQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-4-18(22(3,19)20)12-6-8-17(9-7-12)13-10-14(21-5-2)16-11-15-13/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide?
N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 133464534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).