1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane

C13H28N2O2S — CID 162101140

IUPAC1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane
SMILESCC(C)(C)CCC1CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C13H28N2O2S/c1-13(2,3)9-8-11-4-6-12(7-5-11)10-15-18(14,16)17/h11-12,15H,4-10H2,1-3H3,(H2,14,16,17)
InChIKeyZEWZECGELYPYLO-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.41
Rot. Bonds5

About 1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane

1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane (PubChem CID 162101140) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane
PubChem CID162101140
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane
SMILESCC(C)(C)CCC1CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C13H28N2O2S/c1-13(2,3)9-8-11-4-6-12(7-5-11)10-15-18(14,16)17/h11-12,15H,4-10H2,1-3H3,(H2,14,16,17)
InChIKeyZEWZECGELYPYLO-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane?
The IUPAC name of 1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane (CID 162101140) is 1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane is CC(C)(C)CCC1CCC(CNS(N)(=O)=O)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane?
The InChIKey is ZEWZECGELYPYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-13(2,3)9-8-11-4-6-12(7-5-11)10-15-18(14,16)17/h11-12,15H,4-10H2,1-3H3,(H2,14,16,17).
What are the key properties of 1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane?
1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane has a molecular weight of 276.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 162101140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).