N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide

C13H27N3O3S — CID 119322034

IUPACN-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide
SMILESCCCC(N)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1
InChIInChI=1S/C13H27N3O3S/c1-4-6-12(14)13(17)16-9-7-11(8-10-16)15(3)20(18,19)5-2/h11-12H,4-10,14H2,1-3H3
InChIKeyGPUJDNKIGAVVBE-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.39
Rot. Bonds6

About N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide

N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide (PubChem CID 119322034) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide
PubChem CID119322034
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide
SMILESCCCC(N)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1
InChIInChI=1S/C13H27N3O3S/c1-4-6-12(14)13(17)16-9-7-11(8-10-16)15(3)20(18,19)5-2/h11-12H,4-10,14H2,1-3H3
InChIKeyGPUJDNKIGAVVBE-UHFFFAOYSA-N
XLogP0.39
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]pentan-1-one
CID 54874457
4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 93373838
4-(2-aminopentanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 54872852
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pentan-1-one
CID 114678311
(2R)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796402
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one
CID 107570937
(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 107568869
2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 112624987
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide?
The IUPAC name of N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide (CID 119322034) is N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide?
The canonical SMILES for N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide is CCCC(N)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1.
What is the InChIKey of N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide?
The InChIKey is GPUJDNKIGAVVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-4-6-12(14)13(17)16-9-7-11(8-10-16)15(3)20(18,19)5-2/h11-12H,4-10,14H2,1-3H3.
What are the key properties of N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide?
N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 119322034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).