(E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide

C19H24N4O2S — CID 122318348

IUPAC(E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide
SMILESCc1cc(N2CCCCC2)nc(CNS(=O)(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C19H24N4O2S/c1-16-14-19(23-11-6-3-7-12-23)22-18(21-16)15-20-26(24,25)13-10-17-8-4-2-5-9-17/h2,4-5,8-10,13-14,20H,3,6-7,11-12,15H2,1H3/b13-10+
InChIKeyFUJIJYASIBICAC-JLHYYAGUSA-N
MW372.49 g/mol
LogP2.87
Rot. Bonds6

About (E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide

(E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide (PubChem CID 122318348) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is (E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide
PubChem CID122318348
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name(E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide
SMILESCc1cc(N2CCCCC2)nc(CNS(=O)(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C19H24N4O2S/c1-16-14-19(23-11-6-3-7-12-23)22-18(21-16)15-20-26(24,25)13-10-17-8-4-2-5-9-17/h2,4-5,8-10,13-14,20H,3,6-7,11-12,15H2,1H3/b13-10+
InChIKeyFUJIJYASIBICAC-JLHYYAGUSA-N
XLogP2.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide
CID 122287937
2-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318153
(E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide
CID 42322174
2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318009
3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318154
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 71807412
4-ethoxy-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 71807436
3-chloro-4-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318010
4-methoxy-3-methyl-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318146
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 122318438
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122317958
5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 122317962

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide (CID 122318348) is (E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide is Cc1cc(N2CCCCC2)nc(CNS(=O)(=O)/C=C/c2ccccc2)n1.
What is the InChIKey of (E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide?
The InChIKey is FUJIJYASIBICAC-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-16-14-19(23-11-6-3-7-12-23)22-18(21-16)15-20-26(24,25)13-10-17-8-4-2-5-9-17/h2,4-5,8-10,13-14,20H,3,6-7,11-12,15H2,1H3/b13-10+.
What are the key properties of (E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide?
(E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 122318348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).