N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide

C11H22N2O4S — CID 95133875

IUPACN-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide
SMILESCCO[C@@H](C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O4S/c1-4-17-9(2)11(14)13-7-5-6-10(8-13)12-18(3,15)16/h9-10,12H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyNGIOVMJZVGAKDS-VHSXEESVSA-N
MW278.37 g/mol
LogP-0.05
Rot. Bonds5

About N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide

N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide (PubChem CID 95133875) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide
PubChem CID95133875
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide
SMILESCCO[C@@H](C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O4S/c1-4-17-9(2)11(14)13-7-5-6-10(8-13)12-18(3,15)16/h9-10,12H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyNGIOVMJZVGAKDS-VHSXEESVSA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide
CID 47187880
N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide
CID 65227685
N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95133490
2-ethoxy-1-(3-ethoxypiperidin-1-yl)propan-1-one
CID 86843747
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride
CID 119465088
N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 95150282
3-[(3S)-1-[(2R)-2-ethoxypropanoyl]piperidin-3-yl]propanoic acid
CID 124683470
N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
CID 62490631
N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide
CID 47082365
(3R)-3-(dimethylsulfamoylamino)-1-(2-methylpropanoyl)piperidine
CID 125447905
4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55940381

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide (CID 95133875) is N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide is CCO[C@@H](C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1.
What is the InChIKey of N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is NGIOVMJZVGAKDS-VHSXEESVSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-17-9(2)11(14)13-7-5-6-10(8-13)12-18(3,15)16/h9-10,12H,4-8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide?
N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 95133875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).