N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide

C13H26N2O4S — CID 47187880

IUPACN-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide
SMILESCC(C)COC(C)C(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C13H26N2O4S/c1-10(2)9-19-11(3)13(16)15-7-5-6-12(8-15)14-20(4,17)18/h10-12,14H,5-9H2,1-4H3
InChIKeyVOZDGTQKKMHCGZ-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.59
Rot. Bonds6

About N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide

N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide (PubChem CID 47187880) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide
PubChem CID47187880
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide
SMILESCC(C)COC(C)C(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C13H26N2O4S/c1-10(2)9-19-11(3)13(16)15-7-5-6-12(8-15)14-20(4,17)18/h10-12,14H,5-9H2,1-4H3
InChIKeyVOZDGTQKKMHCGZ-UHFFFAOYSA-N
XLogP0.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide
CID 95133875
N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95133490
N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide
CID 65227685
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
(3R)-3-(dimethylsulfamoylamino)-1-(2-methylpropanoyl)piperidine
CID 125447905
N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
CID 62490631
N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide
CID 97313843
4-chloro-N-[(2S)-1-[3-(methanesulfonamido)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55940381
N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 95150282
N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 79854784
2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 55967104
(2S)-2-(3-methylbutoxy)-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 99592393

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide (CID 47187880) is N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide is CC(C)COC(C)C(=O)N1CCCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is VOZDGTQKKMHCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-10(2)9-19-11(3)13(16)15-7-5-6-12(8-15)14-20(4,17)18/h10-12,14H,5-9H2,1-4H3.
What are the key properties of N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide?
N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 47187880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).