N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide

C18H28N6O2S — CID 110101200

IUPACN,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
SMILESCc1nc(-c2ccnn2C(C)C)cc(C2CCCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C18H28N6O2S/c1-13(2)24-18(9-10-19-24)16-12-15(20-14(3)21-16)17-8-6-7-11-23(17)27(25,26)22(4)5/h9-10,12-13,17H,6-8,11H2,1-5H3
InChIKeyJSMJFFSUHRMRJY-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.56
Rot. Bonds5

About N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide

N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide (PubChem CID 110101200) has the molecular formula C18H28N6O2S and a molecular weight of 392.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
PubChem CID110101200
Molecular FormulaC18H28N6O2S
Molecular Weight392.53 g/mol
Exact Mass392.20
IUPAC NameN,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
SMILESCc1nc(-c2ccnn2C(C)C)cc(C2CCCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C18H28N6O2S/c1-13(2)24-18(9-10-19-24)16-12-15(20-14(3)21-16)17-8-6-7-11-23(17)27(25,26)22(4)5/h9-10,12-13,17H,6-8,11H2,1-5H3
InChIKeyJSMJFFSUHRMRJY-UHFFFAOYSA-N
XLogP2.56
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide (CID 110101200) is N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide is Cc1nc(-c2ccnn2C(C)C)cc(C2CCCCN2S(=O)(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide?
The InChIKey is JSMJFFSUHRMRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S/c1-13(2)24-18(9-10-19-24)16-12-15(20-14(3)21-16)17-8-6-7-11-23(17)27(25,26)22(4)5/h9-10,12-13,17H,6-8,11H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide?
N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide has a molecular weight of 392.53 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 110101200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).