[4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine

C9H18N2O2S — CID 153296438

IUPAC[4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine
SMILESCC(N=S(=O)=O)C1CCC(CN)CC1
InChIInChI=1S/C9H18N2O2S/c1-7(11-14(12)13)9-4-2-8(6-10)3-5-9/h7-9H,2-6,10H2,1H3
InChIKeySWVGLTWUJGIDNZ-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.20
Rot. Bonds3

About [4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine

[4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine (PubChem CID 153296438) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is [4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine
PubChem CID153296438
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name[4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine
SMILESCC(N=S(=O)=O)C1CCC(CN)CC1
InChIInChI=1S/C9H18N2O2S/c1-7(11-14(12)13)9-4-2-8(6-10)3-5-9/h7-9H,2-6,10H2,1H3
InChIKeySWVGLTWUJGIDNZ-UHFFFAOYSA-N
XLogP1.20
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium N-(2-ethylcyclohexyl)sulfamate
CID 23663562
sodium N-(2-propan-2-ylcyclohexyl)sulfamate
CID 23663564
3-(Dimethylsulfamoylamino)propylcyclohexane
CID 53535321
4-n-Hexylcyclohexylamine hemisulfate
CID 21128926
(2-Ethylcyclohexyl)sulfamic acid
CID 13115369
(2-Propan-2-ylcyclohexyl)sulfamic acid
CID 13115373
alpha-Methylcyclohexaneethylamine sulfate
CID 24837057
Sulfuric acid--4-heptylcyclohexan-1-amine (1/1)
CID 54606930
Sulfuric acid--4-octylcyclohexan-1-amine (1/1)
CID 54610437
4-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
CID 17946855
3,6-Di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide
CID 18710131
1-[4-(2-Aminopropyl)cyclohexyl]propan-2-amine
CID 18979313

Frequently Asked Questions

What is the IUPAC name of [4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine?
The IUPAC name of [4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine (CID 153296438) is [4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine is CC(N=S(=O)=O)C1CCC(CN)CC1.
What is the InChIKey of [4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine?
The InChIKey is SWVGLTWUJGIDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7(11-14(12)13)9-4-2-8(6-10)3-5-9/h7-9H,2-6,10H2,1H3.
What are the key properties of [4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine?
[4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine has a molecular weight of 218.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(sulfonylamino)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 153296438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).