N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide

C11H22N2O2S — CID 103970367

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide
SMILESNCC1(CNS(=O)(=O)C2CC2)CCCCC1
InChIInChI=1S/C11H22N2O2S/c12-8-11(6-2-1-3-7-11)9-13-16(14,15)10-4-5-10/h10,13H,1-9,12H2
InChIKeyCVJPOCCLMSCVPR-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.98
Rot. Bonds5

About N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide

N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide (PubChem CID 103970367) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide
PubChem CID103970367
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide
SMILESNCC1(CNS(=O)(=O)C2CC2)CCCCC1
InChIInChI=1S/C11H22N2O2S/c12-8-11(6-2-1-3-7-11)9-13-16(14,15)10-4-5-10/h10,13H,1-9,12H2
InChIKeyCVJPOCCLMSCVPR-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]cyclopentanesulfonamide
CID 105361881
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide
CID 103970028
N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide
CID 62047541
N-[(1-aminocyclopropyl)methyl]cyclopropanesulfonamide
CID 165466108
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide
CID 114759085
N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2-methylpropan-2-amine
CID 114812942
N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride
CID 120874307
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylpropane-1-sulfonamide
CID 115365877
1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443542
N-[1-(aminomethyl)cyclooctyl]cyclohexanesulfonamide
CID 61065631
N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]cyclopropanesulfonamide
CID 131908038
N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide
CID 114758693

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide (CID 103970367) is N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide is NCC1(CNS(=O)(=O)C2CC2)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide?
The InChIKey is CVJPOCCLMSCVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c12-8-11(6-2-1-3-7-11)9-13-16(14,15)10-4-5-10/h10,13H,1-9,12H2.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide has a molecular weight of 246.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 103970367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).