N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide

C12H25N3O3S — CID 103795207

IUPACN-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCCC[C@@H](N)C(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-3-6-11(13)12(16)15-8-5-4-7-10(15)9-14-19(2,17)18/h10-11,14H,3-9,13H2,1-2H3/t10?,11-/m1/s1
InChIKeyYYYXAEOTUVWJGD-RRKGBCIJSA-N
MW291.42 g/mol
LogP0.04
Rot. Bonds6

About N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 103795207) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID103795207
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCCC[C@@H](N)C(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-3-6-11(13)12(16)15-8-5-4-7-10(15)9-14-19(2,17)18/h10-11,14H,3-9,13H2,1-2H3/t10?,11-/m1/s1
InChIKeyYYYXAEOTUVWJGD-RRKGBCIJSA-N
XLogP0.04
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-aminopentanoyl)piperidin-2-yl]methylurea
CID 119313331
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722
N-[[1-(5-amino-2-methylpentanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 104684436
N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 79202830
N-[[1-(3-aminobutanoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722459
(2R)-N-ethyl-2-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 95160650
N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide
CID 132968697
N-[[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 115432105
2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119326462
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806
N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 64824182
N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 103028802

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide (CID 103795207) is N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide is CCC[C@@H](N)C(=O)N1CCCCC1CNS(C)(=O)=O.
What is the InChIKey of N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is YYYXAEOTUVWJGD-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-3-6-11(13)12(16)15-8-5-4-7-10(15)9-14-19(2,17)18/h10-11,14H,3-9,13H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 291.42 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 103795207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).