2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane

C8H20N2O2S — CID 102908416

IUPAC2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane
SMILESCC(C)C(CNS(N)(=O)=O)C(C)C
InChIInChI=1S/C8H20N2O2S/c1-6(2)8(7(3)4)5-10-13(9,11)12/h6-8,10H,5H2,1-4H3,(H2,9,11,12)
InChIKeySJYZWIDJIQXDIW-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.71
Rot. Bonds5

About 2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane

2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane (PubChem CID 102908416) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane.

Molecular Properties

Compound Name2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane
PubChem CID102908416
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane
SMILESCC(C)C(CNS(N)(=O)=O)C(C)C
InChIInChI=1S/C8H20N2O2S/c1-6(2)8(7(3)4)5-10-13(9,11)12/h6-8,10H,5H2,1-4H3,(H2,9,11,12)
InChIKeySJYZWIDJIQXDIW-UHFFFAOYSA-N
XLogP0.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane?
The IUPAC name of 2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane (CID 102908416) is 2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane.
What is the SMILES notation for 2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane?
The canonical SMILES for 2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane is CC(C)C(CNS(N)(=O)=O)C(C)C.
What is the InChIKey of 2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane?
The InChIKey is SJYZWIDJIQXDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-6(2)8(7(3)4)5-10-13(9,11)12/h6-8,10H,5H2,1-4H3,(H2,9,11,12).
What are the key properties of 2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane?
2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane has a molecular weight of 208.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-[(sulfamoylamino)methyl]pentane is sourced from PubChem (CID 102908416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).