N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide

C18H28N4O2S — CID 128996001

IUPACN-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N(C1CCC1)C1CCCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C18H28N4O2S/c1-25(23,24)22(15-4-2-5-15)16-6-3-12-21(13-10-16)17-9-11-19-18(20-17)14-7-8-14/h9,11,14-16H,2-8,10,12-13H2,1H3
InChIKeyJLFJRFDTWMXSAK-UHFFFAOYSA-N
MW364.52 g/mol
LogP2.53
Rot. Bonds5

About N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide

N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide (PubChem CID 128996001) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide
PubChem CID128996001
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC NameN-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N(C1CCC1)C1CCCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C18H28N4O2S/c1-25(23,24)22(15-4-2-5-15)16-6-3-12-21(13-10-16)17-9-11-19-18(20-17)14-7-8-14/h9,11,14-16H,2-8,10,12-13H2,1H3
InChIKeyJLFJRFDTWMXSAK-UHFFFAOYSA-N
XLogP2.53
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide
CID 129339680
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346286
N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide
CID 127302660
(4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine
CID 129344106
N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide
CID 129342697
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133300182
5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328258
2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine
CID 133298308
2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133298967
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357564
4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171998702

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide?
The IUPAC name of N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide (CID 128996001) is N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide.
What is the SMILES notation for N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide?
The canonical SMILES for N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide is CS(=O)(=O)N(C1CCC1)C1CCCN(c2ccnc(C3CC3)n2)CC1.
What is the InChIKey of N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide?
The InChIKey is JLFJRFDTWMXSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-25(23,24)22(15-4-2-5-15)16-6-3-12-21(13-10-16)17-9-11-19-18(20-17)14-7-8-14/h9,11,14-16H,2-8,10,12-13H2,1H3.
What are the key properties of N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide?
N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide has a molecular weight of 364.52 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide is sourced from PubChem (CID 128996001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).