N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide

C18H28ClN5O3S — CID 88574201

IUPACN-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCc1nc(Cl)c(C)c(C(=O)N2CCC(N3CCC(NS(C)(=O)=O)CC3)CC2)n1
InChIInChI=1S/C18H28ClN5O3S/c1-12-16(20-13(2)21-17(12)19)18(25)24-10-6-15(7-11-24)23-8-4-14(5-9-23)22-28(3,26)27/h14-15,22H,4-11H2,1-3H3
InChIKeyZOADBELKFSNFTA-UHFFFAOYSA-N
MW429.97 g/mol
LogP1.37
Rot. Bonds4

About N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide

N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 88574201) has the molecular formula C18H28ClN5O3S and a molecular weight of 429.97 g/mol. Its IUPAC name is N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide
PubChem CID88574201
Molecular FormulaC18H28ClN5O3S
Molecular Weight429.97 g/mol
Exact Mass429.16
IUPAC NameN-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCc1nc(Cl)c(C)c(C(=O)N2CCC(N3CCC(NS(C)(=O)=O)CC3)CC2)n1
InChIInChI=1S/C18H28ClN5O3S/c1-12-16(20-13(2)21-17(12)19)18(25)24-10-6-15(7-11-24)23-8-4-14(5-9-23)22-28(3,26)27/h14-15,22H,4-11H2,1-3H3
InChIKeyZOADBELKFSNFTA-UHFFFAOYSA-N
XLogP1.37
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide (CID 88574201) is N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide is Cc1nc(Cl)c(C)c(C(=O)N2CCC(N3CCC(NS(C)(=O)=O)CC3)CC2)n1.
What is the InChIKey of N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is ZOADBELKFSNFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN5O3S/c1-12-16(20-13(2)21-17(12)19)18(25)24-10-6-15(7-11-24)23-8-4-14(5-9-23)22-28(3,26)27/h14-15,22H,4-11H2,1-3H3.
What are the key properties of N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 429.97 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6-chloro-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 88574201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).