N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide

C13H28N2O3S — CID 62009420

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide
SMILESCCC1CCC(CN)(N(C)S(=O)(=O)CCOC)CC1
InChIInChI=1S/C13H28N2O3S/c1-4-12-5-7-13(11-14,8-6-12)15(2)19(16,17)10-9-18-3/h12H,4-11,14H2,1-3H3
InChIKeyDOJCVABXHCZNGW-UHFFFAOYSA-N
MW292.45 g/mol
LogP1.19
Rot. Bonds7

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide (PubChem CID 62009420) has the molecular formula C13H28N2O3S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide
PubChem CID62009420
Molecular FormulaC13H28N2O3S
Molecular Weight292.45 g/mol
Exact Mass292.18
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide
SMILESCCC1CCC(CN)(N(C)S(=O)(=O)CCOC)CC1
InChIInChI=1S/C13H28N2O3S/c1-4-12-5-7-13(11-14,8-6-12)15(2)19(16,17)10-9-18-3/h12H,4-11,14H2,1-3H3
InChIKeyDOJCVABXHCZNGW-UHFFFAOYSA-N
XLogP1.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide (CID 62009420) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide is CCC1CCC(CN)(N(C)S(=O)(=O)CCOC)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide?
The InChIKey is DOJCVABXHCZNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-12-5-7-13(11-14,8-6-12)15(2)19(16,17)10-9-18-3/h12H,4-11,14H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide has a molecular weight of 292.45 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide is sourced from PubChem (CID 62009420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).