N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide

C16H30N2O3S — CID 136561883

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide
SMILESCCC(CC)C(=O)N1CCC(NS(=O)(=O)C2CC(C)C2)CC1
InChIInChI=1S/C16H30N2O3S/c1-4-13(5-2)16(19)18-8-6-14(7-9-18)17-22(20,21)15-10-12(3)11-15/h12-15,17H,4-11H2,1-3H3
InChIKeyXJRNFAICXOFICK-UHFFFAOYSA-N
MW330.49 g/mol
LogP2.13
Rot. Bonds6

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide (PubChem CID 136561883) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide
PubChem CID136561883
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide
SMILESCCC(CC)C(=O)N1CCC(NS(=O)(=O)C2CC(C)C2)CC1
InChIInChI=1S/C16H30N2O3S/c1-4-13(5-2)16(19)18-8-6-14(7-9-18)17-22(20,21)15-10-12(3)11-15/h12-15,17H,4-11H2,1-3H3
InChIKeyXJRNFAICXOFICK-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566141
3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide
CID 55950906
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566166
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
N-[1-(2-chloropropanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875918
1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820103
2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one
CID 112541295

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide (CID 136561883) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide is CCC(CC)C(=O)N1CCC(NS(=O)(=O)C2CC(C)C2)CC1.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide?
The InChIKey is XJRNFAICXOFICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-4-13(5-2)16(19)18-8-6-14(7-9-18)17-22(20,21)15-10-12(3)11-15/h12-15,17H,4-11H2,1-3H3.
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide has a molecular weight of 330.49 g/mol, XLogP of 2.13, 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]-3-methylcyclobutane-1-sulfonamide is sourced from PubChem (CID 136561883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).