N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide

C13H26N2O3S — CID 110820083

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCC(CC)C(=O)N1CCC(NS(=O)(=O)CC)CC1
InChIInChI=1S/C13H26N2O3S/c1-4-11(5-2)13(16)15-9-7-12(8-10-15)14-19(17,18)6-3/h11-12,14H,4-10H2,1-3H3
InChIKeyKUCCVJKYMOEUFH-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.35
Rot. Bonds6

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 110820083) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
PubChem CID110820083
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCC(CC)C(=O)N1CCC(NS(=O)(=O)CC)CC1
InChIInChI=1S/C13H26N2O3S/c1-4-11(5-2)13(16)15-9-7-12(8-10-15)14-19(17,18)6-3/h11-12,14H,4-10H2,1-3H3
InChIKeyKUCCVJKYMOEUFH-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
N-[1-(2-chloropropanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875918
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide
CID 136561883
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide
CID 62474673
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide
CID 60949730
4-[4-(ethylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992611
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566141
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566166
methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
CID 110819833

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide (CID 110820083) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide is CCC(CC)C(=O)N1CCC(NS(=O)(=O)CC)CC1.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is KUCCVJKYMOEUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-11(5-2)13(16)15-9-7-12(8-10-15)14-19(17,18)6-3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 110820083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).