N-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide

C13H24N4O2S — CID 103970327

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC2(CN)CCCCC2)c1
InChIInChI=1S/C13H24N4O2S/c1-2-17-8-12(15-11-17)20(18,19)16-10-13(9-14)6-4-3-5-7-13/h8,11,16H,2-7,9-10,14H2,1H3
InChIKeyFFBIECUAYVKKSF-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.09
Rot. Bonds6

About N-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide (PubChem CID 103970327) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide
PubChem CID103970327
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC2(CN)CCCCC2)c1
InChIInChI=1S/C13H24N4O2S/c1-2-17-8-12(15-11-17)20(18,19)16-10-13(9-14)6-4-3-5-7-13/h8,11,16H,2-7,9-10,14H2,1H3
InChIKeyFFBIECUAYVKKSF-UHFFFAOYSA-N
XLogP1.09
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-ethylimidazole-4-sulfonamide
CID 114758683
N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide
CID 79373974
N-[1-(aminomethyl)cyclopentyl]-N,1-diethylimidazole-4-sulfonamide
CID 79373437
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365860
N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 106846497
N-cyclopropyl-1-ethylimidazole-4-sulfonamide
CID 79373899
1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide
CID 79372781
1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide
CID 79373655
N-[[3-(aminomethyl)phenyl]methyl]-1-ethylimidazole-4-sulfonamide
CID 79373528
1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide
CID 116645236
N-(3-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 79373407
N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide
CID 96566607

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide (CID 103970327) is N-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NCC2(CN)CCCCC2)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide?
The InChIKey is FFBIECUAYVKKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-2-17-8-12(15-11-17)20(18,19)16-10-13(9-14)6-4-3-5-7-13/h8,11,16H,2-7,9-10,14H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 103970327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).