N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide

C14H23ClN4O2S — CID 71996674

IUPACN-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCCc1c(Cl)nc(C)nc1N1CCC(N(C)S(C)(=O)=O)CC1
InChIInChI=1S/C14H23ClN4O2S/c1-5-12-13(15)16-10(2)17-14(12)19-8-6-11(7-9-19)18(3)22(4,20)21/h11H,5-9H2,1-4H3
InChIKeyBZKDYEHNJVBSHA-UHFFFAOYSA-N
MW346.88 g/mol
LogP1.86
Rot. Bonds4

About N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 71996674) has the molecular formula C14H23ClN4O2S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID71996674
Molecular FormulaC14H23ClN4O2S
Molecular Weight346.88 g/mol
Exact Mass346.12
IUPAC NameN-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCCc1c(Cl)nc(C)nc1N1CCC(N(C)S(C)(=O)=O)CC1
InChIInChI=1S/C14H23ClN4O2S/c1-5-12-13(15)16-10(2)17-14(12)19-8-6-11(7-9-19)18(3)22(4,20)21/h11H,5-9H2,1-4H3
InChIKeyBZKDYEHNJVBSHA-UHFFFAOYSA-N
XLogP1.86
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide (CID 71996674) is N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide is CCc1c(Cl)nc(C)nc1N1CCC(N(C)S(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is BZKDYEHNJVBSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O2S/c1-5-12-13(15)16-10(2)17-14(12)19-8-6-11(7-9-19)18(3)22(4,20)21/h11H,5-9H2,1-4H3.
What are the key properties of N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 346.88 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71996674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).