N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide

C15H30N2O2S — CID 64990033

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide
SMILESCCC1CCC(CN)(N(CC)S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C15H30N2O2S/c1-3-13-7-9-15(12-16,10-8-13)17(4-2)20(18,19)11-14-5-6-14/h13-14H,3-12,16H2,1-2H3
InChIKeyVOQGBSSLJNQMDA-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.35
Rot. Bonds7

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide (PubChem CID 64990033) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide
PubChem CID64990033
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide
SMILESCCC1CCC(CN)(N(CC)S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C15H30N2O2S/c1-3-13-7-9-15(12-16,10-8-13)17(4-2)20(18,19)11-14-5-6-14/h13-14H,3-12,16H2,1-2H3
InChIKeyVOQGBSSLJNQMDA-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide (CID 64990033) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide is CCC1CCC(CN)(N(CC)S(=O)(=O)CC2CC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide?
The InChIKey is VOQGBSSLJNQMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-3-13-7-9-15(12-16,10-8-13)17(4-2)20(18,19)11-14-5-6-14/h13-14H,3-12,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide has a molecular weight of 302.48 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide is sourced from PubChem (CID 64990033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).