5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide

C14H21ClN4O3S — CID 19245749

IUPAC5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C14H21ClN4O3S/c1-4-23(21,22)14-16-9-11(15)12(17-14)13(20)19(3)10-5-7-18(2)8-6-10/h9-10H,4-8H2,1-3H3
InChIKeyCYINSSVKQKGMLU-UHFFFAOYSA-N
MW360.87 g/mol
LogP1.09
Rot. Bonds4

About 5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide

5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide (PubChem CID 19245749) has the molecular formula C14H21ClN4O3S and a molecular weight of 360.87 g/mol. Its IUPAC name is 5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
PubChem CID19245749
Molecular FormulaC14H21ClN4O3S
Molecular Weight360.87 g/mol
Exact Mass360.10
IUPAC Name5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C14H21ClN4O3S/c1-4-23(21,22)14-16-9-11(15)12(17-14)13(20)19(3)10-5-7-18(2)8-6-10/h9-10H,4-8H2,1-3H3
InChIKeyCYINSSVKQKGMLU-UHFFFAOYSA-N
XLogP1.09
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide (CID 19245749) is 5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide is CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(C)C2CCN(C)CC2)n1.
What is the InChIKey of 5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide?
The InChIKey is CYINSSVKQKGMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O3S/c1-4-23(21,22)14-16-9-11(15)12(17-14)13(20)19(3)10-5-7-18(2)8-6-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide?
5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide has a molecular weight of 360.87 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethylsulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 19245749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).