1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane

C14H29N3O2S — CID 114803828

IUPAC1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane
SMILESCCC1CCC(CN)(N(CC)S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-3-12-7-9-14(11-15,10-8-12)17(4-2)20(18,19)16-13-5-6-13/h12-13,16H,3-11,15H2,1-2H3
InChIKeyCVVIUAICUOJTJM-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.60
Rot. Bonds7

About 1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane

1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane (PubChem CID 114803828) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane
PubChem CID114803828
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane
SMILESCCC1CCC(CN)(N(CC)S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-3-12-7-9-14(11-15,10-8-12)17(4-2)20(18,19)16-13-5-6-13/h12-13,16H,3-11,15H2,1-2H3
InChIKeyCVVIUAICUOJTJM-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide
CID 62009820
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64990033
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide
CID 82838643
1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane
CID 114803852
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide
CID 63245674
N-[1-(aminomethyl)cyclopentyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64990132
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate
CID 114461320
1-(aminomethyl)-1-[tert-butylsulfamoyl(ethyl)amino]cyclopentane
CID 114803863
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
CID 62009108
1,4-bis(diethylsulfamoylamino)cyclohexane
CID 31065973

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane?
The IUPAC name of 1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane (CID 114803828) is 1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane.
What is the SMILES notation for 1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane?
The canonical SMILES for 1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane is CCC1CCC(CN)(N(CC)S(=O)(=O)NC2CC2)CC1.
What is the InChIKey of 1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane?
The InChIKey is CVVIUAICUOJTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-3-12-7-9-14(11-15,10-8-12)17(4-2)20(18,19)16-13-5-6-13/h12-13,16H,3-11,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane?
1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane has a molecular weight of 303.47 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane is sourced from PubChem (CID 114803828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).