1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane

C9H21N3O2S — CID 28940754

IUPAC1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane
SMILESCCC1CCC(CN)(NS(N)(=O)=O)CC1
InChIInChI=1S/C9H21N3O2S/c1-2-8-3-5-9(7-10,6-4-8)12-15(11,13)14/h8,12H,2-7,10H2,1H3,(H2,11,13,14)
InChIKeyMWEDEPITLLWEDW-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.08
Rot. Bonds4

About 1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane

1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane (PubChem CID 28940754) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane
PubChem CID28940754
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane
SMILESCCC1CCC(CN)(NS(N)(=O)=O)CC1
InChIInChI=1S/C9H21N3O2S/c1-2-8-3-5-9(7-10,6-4-8)12-15(11,13)14/h8,12H,2-7,10H2,1H3,(H2,11,13,14)
InChIKeyMWEDEPITLLWEDW-UHFFFAOYSA-N
XLogP0.08
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
CID 114803370
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide
CID 63834732
N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide
CID 28940738
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide
CID 54937046
4-(aminomethyl)-1-methyl-4-(sulfamoylamino)piperidine
CID 28940572
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide
CID 104709256
N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine
CID 65379539
N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
CID 64989622
1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102912303
1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine
CID 65379731
1-(aminomethyl)-4-ethylcyclohexan-1-amine
CID 43519516
1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine
CID 65380981

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane?
The IUPAC name of 1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane (CID 28940754) is 1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane?
The canonical SMILES for 1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane is CCC1CCC(CN)(NS(N)(=O)=O)CC1.
What is the InChIKey of 1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane?
The InChIKey is MWEDEPITLLWEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-2-8-3-5-9(7-10,6-4-8)12-15(11,13)14/h8,12H,2-7,10H2,1H3,(H2,11,13,14).
What are the key properties of 1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane?
1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane has a molecular weight of 235.35 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane is sourced from PubChem (CID 28940754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).