N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine

C18H21ClN4O2S — CID 171689763

IUPACN-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC(N(c2ccncn2)C2CC2)CC1
InChIInChI=1S/C18H21ClN4O2S/c19-14-2-1-3-17(12-14)26(24,25)22-10-7-16(8-11-22)23(15-4-5-15)18-6-9-20-13-21-18/h1-3,6,9,12-13,15-16H,4-5,7-8,10-11H2
InChIKeyIQILHCXUYVNDTM-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.95
Rot. Bonds5

About N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine

N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine (PubChem CID 171689763) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
PubChem CID171689763
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC NameN-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC(N(c2ccncn2)C2CC2)CC1
InChIInChI=1S/C18H21ClN4O2S/c19-14-2-1-3-17(12-14)26(24,25)22-10-7-16(8-11-22)23(15-4-5-15)18-6-9-20-13-21-18/h1-3,6,9,12-13,15-16H,4-5,7-8,10-11H2
InChIKeyIQILHCXUYVNDTM-UHFFFAOYSA-N
XLogP2.95
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine (CID 171689763) is N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine is O=S(=O)(c1cccc(Cl)c1)N1CCC(N(c2ccncn2)C2CC2)CC1.
What is the InChIKey of N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine?
The InChIKey is IQILHCXUYVNDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c19-14-2-1-3-17(12-14)26(24,25)22-10-7-16(8-11-22)23(15-4-5-15)18-6-9-20-13-21-18/h1-3,6,9,12-13,15-16H,4-5,7-8,10-11H2.
What are the key properties of N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine?
N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine has a molecular weight of 392.91 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 171689763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).