N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide

C11H23N3O3S — CID 65227685

IUPACN-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide
SMILESCCC(CN)C(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C11H23N3O3S/c1-3-9(7-12)11(15)14-6-4-5-10(8-14)13-18(2,16)17/h9-10,13H,3-8,12H2,1-2H3
InChIKeyBLFDFPCXGQMXNT-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.49
Rot. Bonds5

About N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide

N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide (PubChem CID 65227685) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide
PubChem CID65227685
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide
SMILESCCC(CN)C(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C11H23N3O3S/c1-3-9(7-12)11(15)14-6-4-5-10(8-14)13-18(2,16)17/h9-10,13H,3-8,12H2,1-2H3
InChIKeyBLFDFPCXGQMXNT-UHFFFAOYSA-N
XLogP-0.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide
CID 95133875
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide
CID 47187880
N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95133490
2-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]acetic acid
CID 65228465
2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 107217153
N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 95150282
N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 79854784
N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
CID 62490631
2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 63168547
[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 96515238
3-[3-(methanesulfonamido)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834840

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide (CID 65227685) is N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide is CCC(CN)C(=O)N1CCCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is BLFDFPCXGQMXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-3-9(7-12)11(15)14-6-4-5-10(8-14)13-18(2,16)17/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide?
N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 65227685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).