N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine

C13H26N2O2S — CID 106640099

IUPACN-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCCS(=O)(=O)CCN(CC1CCCNC1)C1CC1
InChIInChI=1S/C13H26N2O2S/c1-2-18(16,17)9-8-15(13-5-6-13)11-12-4-3-7-14-10-12/h12-14H,2-11H2,1H3
InChIKeyFHXMHYGRYNOMIE-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.89
Rot. Bonds7

About N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine

N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106640099) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106640099
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCCS(=O)(=O)CCN(CC1CCCNC1)C1CC1
InChIInChI=1S/C13H26N2O2S/c1-2-18(16,17)9-8-15(13-5-6-13)11-12-4-3-7-14-10-12/h12-14H,2-11H2,1H3
InChIKeyFHXMHYGRYNOMIE-UHFFFAOYSA-N
XLogP0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639978
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574
N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106638991
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
CID 106640266
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
3-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-methylpropanamide
CID 106639726
N-cyclopropyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106631170
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol
CID 107705718
3,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propylcyclohexan-1-amine
CID 106625170

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106640099) is N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine is CCS(=O)(=O)CCN(CC1CCCNC1)C1CC1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is FHXMHYGRYNOMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-18(16,17)9-8-15(13-5-6-13)11-12-4-3-7-14-10-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 274.43 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106640099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).