N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide

C13H26N2O3S — CID 106631255

IUPACN-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C13H26N2O3S/c1-2-18-8-9-19(16,17)15(13-5-6-13)11-12-4-3-7-14-10-12/h12-14H,2-11H2,1H3
InChIKeyPPQHDYQLXJYAAX-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.82
Rot. Bonds8

About N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide

N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide (PubChem CID 106631255) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide
PubChem CID106631255
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C13H26N2O3S/c1-2-18-8-9-19(16,17)15(13-5-6-13)11-12-4-3-7-14-10-12/h12-14H,2-11H2,1H3
InChIKeyPPQHDYQLXJYAAX-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 106631277
N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639978
N-cyclopropyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106631170
2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide
CID 63246667
2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
CID 119993802
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide
CID 63396597
N-ethyl-N-piperidin-3-yl-2-propan-2-yloxyethanesulfonamide
CID 79594528
2-[2-ethoxyethylsulfonyl(piperidin-4-yl)amino]acetamide
CID 63246713
N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
CID 63246125
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
(3R)-3-(ethoxymethyl)piperidine
CID 42427178

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide (CID 106631255) is N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide is CCOCCS(=O)(=O)N(CC1CCCNC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide?
The InChIKey is PPQHDYQLXJYAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-2-18-8-9-19(16,17)15(13-5-6-13)11-12-4-3-7-14-10-12/h12-14H,2-11H2,1H3.
What are the key properties of N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide?
N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 106631255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).