(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide

C12H25N3O3S — CID 56865366

IUPAC(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H25N3O3S/c1-9(2)8-11(13)12(16)14-10-4-6-15(7-5-10)19(3,17)18/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyVVYKIYDKUZCOSL-LLVKDONJSA-N
MW291.42 g/mol
LogP-0.10
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide

(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide (PubChem CID 56865366) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide
PubChem CID56865366
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H25N3O3S/c1-9(2)8-11(13)12(16)14-10-4-6-15(7-5-10)19(3,17)18/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyVVYKIYDKUZCOSL-LLVKDONJSA-N
XLogP-0.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-methylpentanamide
CID 43711760
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 106111386
(2R)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide
CID 104904016
(2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide
CID 104864648
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
(2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
CID 120874179
2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide
CID 47460723
(2S)-2-amino-N-(1-ethylsulfonyl-3-oxoazepan-4-yl)-4-methylpentanamide
CID 69308058
(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 104897197

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide (CID 56865366) is (2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide is CC(C)C[C@@H](N)C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide?
The InChIKey is VVYKIYDKUZCOSL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-9(2)8-11(13)12(16)14-10-4-6-15(7-5-10)19(3,17)18/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide?
(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide has a molecular weight of 291.42 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 56865366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).