N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide

C16H26N4O2S — CID 129342697

IUPACN-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide
SMILESCc1cc(N2CCC[C@H](N(C3CCC3)S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C16H26N4O2S/c1-13-11-16(18-12-17-13)19-9-4-7-15(8-10-19)20(23(2,21)22)14-5-3-6-14/h11-12,14-15H,3-10H2,1-2H3/t15-/m0/s1
InChIKeyUUXPJQSUWIUASN-HNNXBMFYSA-N
MW338.48 g/mol
LogP1.96
Rot. Bonds4

About N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide

N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide (PubChem CID 129342697) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide
PubChem CID129342697
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide
SMILESCc1cc(N2CCC[C@H](N(C3CCC3)S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C16H26N4O2S/c1-13-11-16(18-12-17-13)19-9-4-7-15(8-10-19)20(23(2,21)22)14-5-3-6-14/h11-12,14-15H,3-10H2,1-2H3/t15-/m0/s1
InChIKeyUUXPJQSUWIUASN-HNNXBMFYSA-N
XLogP1.96
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133305493
N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 171335953
N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide
CID 128996001
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846340
[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
CID 72932666
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
CID 133464534
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 62218201
4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
CID 133315643

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide?
The IUPAC name of N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide (CID 129342697) is N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide.
What is the SMILES notation for N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide?
The canonical SMILES for N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide is Cc1cc(N2CCC[C@H](N(C3CCC3)S(C)(=O)=O)CC2)ncn1.
What is the InChIKey of N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide?
The InChIKey is UUXPJQSUWIUASN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13-11-16(18-12-17-13)19-9-4-7-15(8-10-19)20(23(2,21)22)14-5-3-6-14/h11-12,14-15H,3-10H2,1-2H3/t15-/m0/s1.
What are the key properties of N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide?
N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide has a molecular weight of 338.48 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide is sourced from PubChem (CID 129342697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).