N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide

C12H23N3O3S — CID 115448014

IUPACN-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)C2(CN)CCC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)14-10-3-7-15(8-4-10)11(16)12(9-13)5-2-6-12/h10,14H,2-9,13H2,1H3
InChIKeySCYYBXLRHOMJKG-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.34
Rot. Bonds4

About N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide

N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide (PubChem CID 115448014) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide
PubChem CID115448014
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)C2(CN)CCC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)14-10-3-7-15(8-4-10)11(16)12(9-13)5-2-6-12/h10,14H,2-9,13H2,1H3
InChIKeySCYYBXLRHOMJKG-UHFFFAOYSA-N
XLogP-0.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-ethylpyrrolidine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 63140062
N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide
CID 54870016
2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
CID 115444228
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 113310414
N-[[1-[1-(aminomethyl)cyclopropanecarbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 115452903
[1-(aminomethyl)cyclopentyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63973299
N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 65290824
1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115448527
N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide
CID 79809795
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide
CID 51302071
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide (CID 115448014) is N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)C2(CN)CCC2)CC1.
What is the InChIKey of N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is SCYYBXLRHOMJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-19(17,18)14-10-3-7-15(8-4-10)11(16)12(9-13)5-2-6-12/h10,14H,2-9,13H2,1H3.
What are the key properties of N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide?
N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 289.40 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 115448014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).