N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide

C11H22N2O3S — CID 50847725

IUPACN-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCCN(S(=O)(=O)CC)C1
InChIInChI=1S/C11H22N2O3S/c1-3-11(14)12-8-10-6-5-7-13(9-10)17(15,16)4-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyHRJUXEHHESTFOF-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.57
Rot. Bonds5

About N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide

N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide (PubChem CID 50847725) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide
PubChem CID50847725
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCCN(S(=O)(=O)CC)C1
InChIInChI=1S/C11H22N2O3S/c1-3-11(14)12-8-10-6-5-7-13(9-10)17(15,16)4-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyHRJUXEHHESTFOF-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95331028
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
N-[(1-iodopiperidin-4-yl)methyl]propanamide
CID 146581381
1-(bromomethylsulfonyl)-3-ethylpiperidine
CID 83093383
2-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813727
2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 106813726
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]sulfonylbutanoic acid
CID 63241611
1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 63246538

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide?
The IUPAC name of N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide (CID 50847725) is N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide?
The canonical SMILES for N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide is CCC(=O)NCC1CCCN(S(=O)(=O)CC)C1.
What is the InChIKey of N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide?
The InChIKey is HRJUXEHHESTFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-11(14)12-8-10-6-5-7-13(9-10)17(15,16)4-2/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide?
N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide has a molecular weight of 262.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide is sourced from PubChem (CID 50847725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).