N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide

C14H27N3O4S — CID 97313843

IUPACN-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)NS(C)(=O)=O)C1
InChIInChI=1S/C14H27N3O4S/c1-10(2)8-13(16-22(4,20)21)14(19)17-7-5-6-12(9-17)15-11(3)18/h10,12-13,16H,5-9H2,1-4H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyPSBHWOQKAZMJOO-CHWSQXEVSA-N
MW333.45 g/mol
LogP0.08
Rot. Bonds6

About N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide

N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide (PubChem CID 97313843) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide
PubChem CID97313843
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC NameN-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)NS(C)(=O)=O)C1
InChIInChI=1S/C14H27N3O4S/c1-10(2)8-13(16-22(4,20)21)14(19)17-7-5-6-12(9-17)15-11(3)18/h10,12-13,16H,5-9H2,1-4H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyPSBHWOQKAZMJOO-CHWSQXEVSA-N
XLogP0.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]acetamide
CID 66567589
N-[1-(6-amino-2-methylheptanoyl)piperidin-3-yl]acetamide
CID 65292227
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094
N-[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]acetamide
CID 54872010
4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 119490221
N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide
CID 65227144
N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide
CID 94006107
N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide
CID 113402254
N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide
CID 47187880
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one
CID 126831461
N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]acetamide
CID 81083280

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide (CID 97313843) is N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)NS(C)(=O)=O)C1.
What is the InChIKey of N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide?
The InChIKey is PSBHWOQKAZMJOO-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-10(2)8-13(16-22(4,20)21)14(19)17-7-5-6-12(9-17)15-11(3)18/h10,12-13,16H,5-9H2,1-4H3,(H,15,18)/t12-,13-/m1/s1.
What are the key properties of N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide?
N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide has a molecular weight of 333.45 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97313843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).