N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide

C10H18N2O3S — CID 60949730

IUPACN-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide
SMILESC=CC(=O)N1CCC(NS(=O)(=O)CC)CC1
InChIInChI=1S/C10H18N2O3S/c1-3-10(13)12-7-5-9(6-8-12)11-16(14,15)4-2/h3,9,11H,1,4-8H2,2H3
InChIKeyFEUQNDZHODQVGY-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.10
Rot. Bonds4

About N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide

N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide (PubChem CID 60949730) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide
PubChem CID60949730
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide
SMILESC=CC(=O)N1CCC(NS(=O)(=O)CC)CC1
InChIInChI=1S/C10H18N2O3S/c1-3-10(13)12-7-5-9(6-8-12)11-16(14,15)4-2/h3,9,11H,1,4-8H2,2H3
InChIKeyFEUQNDZHODQVGY-UHFFFAOYSA-N
XLogP0.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 79345168
4-[4-(ethylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992611
N-[1-(2-chloropropanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875918
methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
CID 110819833
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 64610162
N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide
CID 78958031
ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
CID 176702681

Frequently Asked Questions

What is the IUPAC name of N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide?
The IUPAC name of N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide (CID 60949730) is N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide?
The canonical SMILES for N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide is C=CC(=O)N1CCC(NS(=O)(=O)CC)CC1.
What is the InChIKey of N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide?
The InChIKey is FEUQNDZHODQVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-10(13)12-7-5-9(6-8-12)11-16(14,15)4-2/h3,9,11H,1,4-8H2,2H3.
What are the key properties of N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide?
N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide has a molecular weight of 246.33 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide is sourced from PubChem (CID 60949730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).