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

C11H25N3O2S — CID 54947728

IUPAC1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-10(2)14(3)17(15,16)13-9-11(12)7-5-4-6-8-11/h10,13H,4-9,12H2,1-3H3
InChIKeyHMHHUKIJSDTJQY-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.82
Rot. Bonds5

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

1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane (PubChem CID 54947728) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane.

Molecular Properties

Compound Name1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane
PubChem CID54947728
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-10(2)14(3)17(15,16)13-9-11(12)7-5-4-6-8-11/h10,13H,4-9,12H2,1-3H3
InChIKeyHMHHUKIJSDTJQY-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane?
The IUPAC name of 1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane (CID 54947728) is 1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane.
What is the SMILES notation for 1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane?
The canonical SMILES for 1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane is CC(C)N(C)S(=O)(=O)NCC1(N)CCCCC1.
What is the InChIKey of 1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane?
The InChIKey is HMHHUKIJSDTJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-10(2)14(3)17(15,16)13-9-11(12)7-5-4-6-8-11/h10,13H,4-9,12H2,1-3H3.
What are the key properties of 1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane?
1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane has a molecular weight of 263.41 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane is sourced from PubChem (CID 54947728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).