N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide

C12H26N2O3S — CID 164639219

IUPACN-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide
SMILESCCOC1CCN([C@@H](C)CNS(=O)(=O)CC)CC1
InChIInChI=1S/C12H26N2O3S/c1-4-17-12-6-8-14(9-7-12)11(3)10-13-18(15,16)5-2/h11-13H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyLPPNHICFBFDJAX-NSHDSACASA-N
MW278.42 g/mol
LogP0.82
Rot. Bonds7

About N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide

N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide (PubChem CID 164639219) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide
PubChem CID164639219
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide
SMILESCCOC1CCN([C@@H](C)CNS(=O)(=O)CC)CC1
InChIInChI=1S/C12H26N2O3S/c1-4-17-12-6-8-14(9-7-12)11(3)10-13-18(15,16)5-2/h11-13H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyLPPNHICFBFDJAX-NSHDSACASA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 71979573
N-[2-[oxan-4-yl(propan-2-yl)amino]ethyl]ethanesulfonamide
CID 72003186
N-[(2S)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide
CID 94082074
N-[1-(azepan-1-yl)propan-2-yl]-2-methoxypropane-1-sulfonamide
CID 121519688
2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
CID 82816914
[4-Methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine
CID 115963475
N-[2-[butan-2-yl(methyl)amino]ethyl]oxane-4-sulfonamide
CID 56803800
N-[1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide
CID 72156041
N,N-dimethyl-2-piperidin-4-yloxyethanesulfonamide
CID 58495800
1-((2-Methoxyethyl)sulfonyl)piperidin-4-amine
CID 61608559
1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide
CID 68822827
1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide
CID 68824374

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide?
The IUPAC name of N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide (CID 164639219) is N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide?
The canonical SMILES for N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide is CCOC1CCN([C@@H](C)CNS(=O)(=O)CC)CC1.
What is the InChIKey of N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide?
The InChIKey is LPPNHICFBFDJAX-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-17-12-6-8-14(9-7-12)11(3)10-13-18(15,16)5-2/h11-13H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide?
N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-ethoxypiperidin-1-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 164639219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).