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

C12H25N3O3S — CID 61164096

IUPACN-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide
SMILESCC(C)(C)[C@H](N)C(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C12H25N3O3S/c1-12(2,3)10(13)11(16)15-7-5-9(6-8-15)14-19(4,17)18/h9-10,14H,5-8,13H2,1-4H3/t10-/m1/s1
InChIKeyRFZWQCXAAWNRJO-SNVBAGLBSA-N
MW291.42 g/mol
LogP-0.10
Rot. Bonds3

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

N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide (PubChem CID 61164096) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide
PubChem CID61164096
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide
SMILESCC(C)(C)[C@H](N)C(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C12H25N3O3S/c1-12(2,3)10(13)11(16)15-7-5-9(6-8-15)14-19(4,17)18/h9-10,14H,5-8,13H2,1-4H3/t10-/m1/s1
InChIKeyRFZWQCXAAWNRJO-SNVBAGLBSA-N
XLogP-0.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide
CID 61163904
4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid
CID 64888155
(2S)-2-amino-3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119675086
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide
CID 79201762
methyl N-[1-(2-amino-3,3-dimethylbutanoyl)pyrrolidin-3-yl]carbamate
CID 113402196
2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 77309770
2-amino-3,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 77073242
N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide
CID 79809795
2-amino-3,3-dimethyl-1-(4-methylazepan-1-yl)butan-1-one
CID 77002418
N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide
CID 94872067
N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
CID 68920493
(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
CID 103929400

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide (CID 61164096) is N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide is CC(C)(C)[C@H](N)C(=O)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is RFZWQCXAAWNRJO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-12(2,3)10(13)11(16)15-7-5-9(6-8-15)14-19(4,17)18/h9-10,14H,5-8,13H2,1-4H3/t10-/m1/s1.
What are the key properties of N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 291.42 g/mol, XLogP of -0.10, 3 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-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 61164096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).