N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide

C16H24N4O2S — CID 154582564

IUPACN-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide
SMILESCN(CC1CN(c2cc(C3CCC3)ncn2)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C16H24N4O2S/c1-19(23(21,22)14-5-6-14)8-12-9-20(10-12)16-7-15(17-11-18-16)13-3-2-4-13/h7,11-14H,2-6,8-10H2,1H3
InChIKeyZJUUCCHYJUSHGJ-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.60
Rot. Bonds6

About N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide

N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide (PubChem CID 154582564) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide
PubChem CID154582564
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide
SMILESCN(CC1CN(c2cc(C3CCC3)ncn2)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C16H24N4O2S/c1-19(23(21,22)14-5-6-14)8-12-9-20(10-12)16-7-15(17-11-18-16)13-3-2-4-13/h7,11-14H,2-6,8-10H2,1H3
InChIKeyZJUUCCHYJUSHGJ-UHFFFAOYSA-N
XLogP1.60
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 171335953
[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 141272664
[(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
CID 133111471
N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide
CID 154582749
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 126848081
N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide
CID 154582587
1-(6-cyclobutylpyrimidin-4-yl)-4-methylsulfonyl-1,4-diazepane
CID 165435367
1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
CID 72932666
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126933724
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 167796179

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide (CID 154582564) is N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide is CN(CC1CN(c2cc(C3CCC3)ncn2)C1)S(=O)(=O)C1CC1.
What is the InChIKey of N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide?
The InChIKey is ZJUUCCHYJUSHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-19(23(21,22)14-5-6-14)8-12-9-20(10-12)16-7-15(17-11-18-16)13-3-2-4-13/h7,11-14H,2-6,8-10H2,1H3.
What are the key properties of N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide?
N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 1.60, 6 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)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 154582564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).