N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

C13H26N2O3S — CID 113137008

IUPACN-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCCC(C)N(CCC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-4-12(2)15(19(3,17)18)11-8-13(16)14-9-6-5-7-10-14/h12H,4-11H2,1-3H3
InChIKeyNJJPDZLDVKOLAP-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.45
Rot. Bonds6

About N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (PubChem CID 113137008) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
PubChem CID113137008
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCCC(C)N(CCC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-4-12(2)15(19(3,17)18)11-8-13(16)14-9-6-5-7-10-14/h12H,4-11H2,1-3H3
InChIKeyNJJPDZLDVKOLAP-UHFFFAOYSA-N
XLogP1.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
CID 113147650
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propylmethanesulfonamide
CID 113147458
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
CID 113136448
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide
CID 113153265
3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
CID 113137000
3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 162750091
N-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148243
N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113137802
2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone
CID 114236172
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113138968
N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113150088

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (CID 113137008) is N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is CCC(C)N(CCC(=O)N1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The InChIKey is NJJPDZLDVKOLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-12(2)15(19(3,17)18)11-8-13(16)14-9-6-5-7-10-14/h12H,4-11H2,1-3H3.
What are the key properties of N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 113137008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).