N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide

C14H30N2O2S — CID 63834732

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)CCC(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-4-13-5-8-14(11-15,9-6-13)16-19(17,18)10-7-12(2)3/h12-13,16H,4-11,15H2,1-3H3
InChIKeyHTVLPWLLNPAGHG-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.25
Rot. Bonds7

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide (PubChem CID 63834732) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide
PubChem CID63834732
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)CCC(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-4-13-5-8-14(11-15,9-6-13)16-19(17,18)10-7-12(2)3/h12-13,16H,4-11,15H2,1-3H3
InChIKeyHTVLPWLLNPAGHG-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide (CID 63834732) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide is CCC1CCC(CN)(NS(=O)(=O)CCC(C)C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide?
The InChIKey is HTVLPWLLNPAGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-4-13-5-8-14(11-15,9-6-13)16-19(17,18)10-7-12(2)3/h12-13,16H,4-11,15H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63834732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).