N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide

C11H20N4O3S — CID 106297757

IUPACN-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2(CN)CCOCC2)cn1C
InChIInChI=1S/C11H20N4O3S/c1-9-13-10(7-15(9)2)19(16,17)14-11(8-12)3-5-18-6-4-11/h7,14H,3-6,8,12H2,1-2H3
InChIKeyYLCPLWSFMPUWNE-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.49
Rot. Bonds4

About N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide

N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 106297757) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID106297757
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2(CN)CCOCC2)cn1C
InChIInChI=1S/C11H20N4O3S/c1-9-13-10(7-15(9)2)19(16,17)14-11(8-12)3-5-18-6-4-11/h7,14H,3-6,8,12H2,1-2H3
InChIKeyYLCPLWSFMPUWNE-UHFFFAOYSA-N
XLogP-0.49
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671759
2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid
CID 64702323
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide
CID 62374091
N-[4-(aminomethyl)oxan-4-yl]-3-methylbenzenesulfonamide
CID 106297755
N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063500
1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carbothioamide
CID 62061753
N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 62062813
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311
[(1,2-dimethylimidazol-4-yl)sulfonylamino]thiourea
CID 65214168
N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 113283535
N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062769
4-(aminomethyl)-4-(dimethylsulfamoylamino)oxane
CID 106297876

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide (CID 106297757) is N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC2(CN)CCOCC2)cn1C.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is YLCPLWSFMPUWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-9-13-10(7-15(9)2)19(16,17)14-11(8-12)3-5-18-6-4-11/h7,14H,3-6,8,12H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide?
N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 106297757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).