N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide

C11H23N3O3S — CID 61163904

IUPACN-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide
SMILESCC(C)[C@H](N)C(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-8(2)10(12)11(15)14-6-4-9(5-7-14)13-18(3,16)17/h8-10,13H,4-7,12H2,1-3H3/t10-/m0/s1
InChIKeyLIQBNALIVBHXTK-JTQLQIEISA-N
MW277.39 g/mol
LogP-0.49
Rot. Bonds4

About N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide

N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide (PubChem CID 61163904) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide
PubChem CID61163904
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide
SMILESCC(C)[C@H](N)C(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-8(2)10(12)11(15)14-6-4-9(5-7-14)13-18(3,16)17/h8-10,13H,4-7,12H2,1-3H3/t10-/m0/s1
InChIKeyLIQBNALIVBHXTK-JTQLQIEISA-N
XLogP-0.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide
CID 61164096
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide
CID 79201762
4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid
CID 64888155
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 121230377
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 61155723
(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one
CID 69143170
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 79011459
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide
CID 61157442
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide (CID 61163904) is N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide is CC(C)[C@H](N)C(=O)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is LIQBNALIVBHXTK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-8(2)10(12)11(15)14-6-4-9(5-7-14)13-18(3,16)17/h8-10,13H,4-7,12H2,1-3H3/t10-/m0/s1.
What are the key properties of N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 61163904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).