1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane

C12H27N3O2S — CID 54947770

IUPAC1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
SMILESCC(C)N(C)S(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)15(3)18(16,17)14-12(10-13)8-6-4-5-7-9-12/h11,14H,4-10,13H2,1-3H3
InChIKeyJIIDLJBULNFIOB-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.21
Rot. Bonds5

About 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane

1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane (PubChem CID 54947770) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane.

Molecular Properties

Compound Name1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
PubChem CID54947770
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
SMILESCC(C)N(C)S(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)15(3)18(16,17)14-12(10-13)8-6-4-5-7-9-12/h11,14H,4-10,13H2,1-3H3
InChIKeyJIIDLJBULNFIOB-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane?
The IUPAC name of 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane (CID 54947770) is 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane.
What is the SMILES notation for 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane?
The canonical SMILES for 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane is CC(C)N(C)S(=O)(=O)NC1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane?
The InChIKey is JIIDLJBULNFIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(2)15(3)18(16,17)14-12(10-13)8-6-4-5-7-9-12/h11,14H,4-10,13H2,1-3H3.
What are the key properties of 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane?
1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane has a molecular weight of 277.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane is sourced from PubChem (CID 54947770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).