1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane

C11H24N2O2S — CID 71131584

IUPAC1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane
SMILESCC(C)CC1CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-9(2)7-10-3-5-11(6-4-10)8-13-16(12,14)15/h9-11,13H,3-8H2,1-2H3,(H2,12,14,15)
InChIKeyBQKNSRMBAUUVJX-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.63
Rot. Bonds5

About 1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane

1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane (PubChem CID 71131584) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane
PubChem CID71131584
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane
SMILESCC(C)CC1CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-9(2)7-10-3-5-11(6-4-10)8-13-16(12,14)15/h9-11,13H,3-8H2,1-2H3,(H2,12,14,15)
InChIKeyBQKNSRMBAUUVJX-UHFFFAOYSA-N
XLogP1.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane?
The IUPAC name of 1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane (CID 71131584) is 1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for 1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane?
The canonical SMILES for 1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane is CC(C)CC1CCC(CNS(N)(=O)=O)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane?
The InChIKey is BQKNSRMBAUUVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(2)7-10-3-5-11(6-4-10)8-13-16(12,14)15/h9-11,13H,3-8H2,1-2H3,(H2,12,14,15).
What are the key properties of 1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane?
1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane has a molecular weight of 248.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 71131584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).