N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide

C10H21N3O3S — CID 54871310

IUPACN-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
SMILESCC(N)CC(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C10H21N3O3S/c1-8(11)6-10(14)13-5-3-4-9(7-13)12-17(2,15)16/h8-9,12H,3-7,11H2,1-2H3
InChIKeyKGXADFMKYXRTRT-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.74
Rot. Bonds4

About N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide

N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide (PubChem CID 54871310) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
PubChem CID54871310
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
SMILESCC(N)CC(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C10H21N3O3S/c1-8(11)6-10(14)13-5-3-4-9(7-13)12-17(2,15)16/h8-9,12H,3-7,11H2,1-2H3
InChIKeyKGXADFMKYXRTRT-UHFFFAOYSA-N
XLogP-0.74
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 119761594
N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 79854784
N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide
CID 95133875
N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide
CID 65227685
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
N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
CID 62490631
3-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butan-1-one
CID 63151719
3-amino-1-[3-(3,5-dimethoxyanilino)piperidin-1-yl]butan-1-one
CID 120873076
N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 154838972
N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47035830
N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119732749

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide (CID 54871310) is N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide is CC(N)CC(=O)N1CCCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is KGXADFMKYXRTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-8(11)6-10(14)13-5-3-4-9(7-13)12-17(2,15)16/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide?
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 263.36 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 54871310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).