N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide

C15H24N4O2S — CID 171335953

IUPACN-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(c2cc(C3CCC3)ncn2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H24N4O2S/c1-18(22(2,20)21)13-6-8-19(9-7-13)15-10-14(16-11-17-15)12-4-3-5-12/h10-13H,3-9H2,1-2H3
InChIKeyIJTILWIXOUZYHQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.60
Rot. Bonds4

About N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 171335953) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID171335953
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(c2cc(C3CCC3)ncn2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H24N4O2S/c1-18(22(2,20)21)13-6-8-19(9-7-13)15-10-14(16-11-17-15)12-4-3-5-12/h10-13H,3-9H2,1-2H3
InChIKeyIJTILWIXOUZYHQ-UHFFFAOYSA-N
XLogP1.60
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
CID 72932666
1-(6-cyclobutylpyrimidin-4-yl)-4-methylsulfonyl-1,4-diazepane
CID 165435367
N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335566
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine
CID 166602994
N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide
CID 129342697
N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide
CID 154582564
2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
CID 163348144
N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 155974233
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155941962
N-methyl-N-[(4R)-1-pyrimidin-2-ylazepan-4-yl]methanesulfonamide
CID 95811456

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide (CID 171335953) is N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide is CN(C1CCN(c2cc(C3CCC3)ncn2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is IJTILWIXOUZYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-18(22(2,20)21)13-6-8-19(9-7-13)15-10-14(16-11-17-15)12-4-3-5-12/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 171335953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).