N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide

C13H29N3O3S — CID 106054302

IUPACN-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NC(C)COCC)C1
InChIInChI=1S/C13H29N3O3S/c1-4-14-9-13-7-6-8-16(10-13)20(17,18)15-12(3)11-19-5-2/h12-15H,4-11H2,1-3H3
InChIKeyGYOPUEUSNVVGPW-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.57
Rot. Bonds9

About N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide

N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106054302) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
PubChem CID106054302
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC NameN-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NC(C)COCC)C1
InChIInChI=1S/C13H29N3O3S/c1-4-14-9-13-7-6-8-16(10-13)20(17,18)15-12(3)11-19-5-2/h12-15H,4-11H2,1-3H3
InChIKeyGYOPUEUSNVVGPW-UHFFFAOYSA-N
XLogP0.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106063963
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 114813108
N-[1-(dimethylamino)propan-2-yl]-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106074497
N-(1-cyclobutylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106084943
3-(ethoxymethyl)-N-ethylpiperidine-1-sulfonamide
CID 110610365
N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106052235
N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106067763
3-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-sulfonamide
CID 115969767
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149
N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 63880145
3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072219

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide (CID 106054302) is N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide is CCNCC1CCCN(S(=O)(=O)NC(C)COCC)C1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is GYOPUEUSNVVGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-4-14-9-13-7-6-8-16(10-13)20(17,18)15-12(3)11-19-5-2/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 307.46 g/mol, XLogP of 0.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106054302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).