N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide

C16H24N4O2S — CID 163346286

IUPACN-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCN(c2ccnc(C3CC3)n2)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C16H24N4O2S/c1-19(23(21,22)14-4-5-14)13-7-10-20(11-8-13)15-6-9-17-16(18-15)12-2-3-12/h6,9,12-14H,2-5,7-8,10-11H2,1H3
InChIKeyYXUUTRFSFHSZKT-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.75
Rot. Bonds5

About N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide

N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide (PubChem CID 163346286) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
PubChem CID163346286
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCN(c2ccnc(C3CC3)n2)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C16H24N4O2S/c1-19(23(21,22)14-4-5-14)13-7-10-20(11-8-13)15-6-9-17-16(18-15)12-2-3-12/h6,9,12-14H,2-5,7-8,10-11H2,1H3
InChIKeyYXUUTRFSFHSZKT-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide (CID 163346286) is N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide is CN(C1CCN(c2ccnc(C3CC3)n2)CC1)S(=O)(=O)C1CC1.
What is the InChIKey of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The InChIKey is YXUUTRFSFHSZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-19(23(21,22)14-4-5-14)13-7-10-20(11-8-13)15-6-9-17-16(18-15)12-2-3-12/h6,9,12-14H,2-5,7-8,10-11H2,1H3.
What are the key properties of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 163346286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).