N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine

C16H19ClN4O3S — CID 171336312

IUPACN-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)ncn1
InChIInChI=1S/C16H19ClN4O3S/c1-24-16-10-15(18-11-19-16)20-12-6-8-21(9-7-12)25(22,23)14-5-3-2-4-13(14)17/h2-5,10-12H,6-9H2,1H3,(H,18,19,20)
InChIKeyGIFNBCHKVRPLDY-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.40
Rot. Bonds5

About N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine

N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine (PubChem CID 171336312) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine
PubChem CID171336312
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC NameN-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)ncn1
InChIInChI=1S/C16H19ClN4O3S/c1-24-16-10-15(18-11-19-16)20-12-6-8-21(9-7-12)25(22,23)14-5-3-2-4-13(14)17/h2-5,10-12H,6-9H2,1H3,(H,18,19,20)
InChIKeyGIFNBCHKVRPLDY-UHFFFAOYSA-N
XLogP2.40
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888026
N-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methylpyrimidin-4-amine
CID 171336303
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine
CID 139003976
6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888251
6-N-[1-(benzenesulfonyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171689746
3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
CID 126888237
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine
CID 171336242
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 126887928
1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
CID 126888227
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888037

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine (CID 171336312) is N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine is COc1cc(NC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)ncn1.
What is the InChIKey of N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is GIFNBCHKVRPLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c1-24-16-10-15(18-11-19-16)20-12-6-8-21(9-7-12)25(22,23)14-5-3-2-4-13(14)17/h2-5,10-12H,6-9H2,1H3,(H,18,19,20).
What are the key properties of N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine?
N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 382.87 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 171336312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).