3-[(sulfamoylamino)methyl]heptane

C8H20N2O2S — CID 87574850

IUPAC3-[(sulfamoylamino)methyl]heptane
SMILESCCCCC(CC)CNS(N)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-3-5-6-8(4-2)7-10-13(9,11)12/h8,10H,3-7H2,1-2H3,(H2,9,11,12)
InChIKeyLITFPCRZXQZXKS-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.00
Rot. Bonds7

About 3-[(sulfamoylamino)methyl]heptane

3-[(sulfamoylamino)methyl]heptane (PubChem CID 87574850) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-[(sulfamoylamino)methyl]heptane.

Molecular Properties

Compound Name3-[(sulfamoylamino)methyl]heptane
PubChem CID87574850
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name3-[(sulfamoylamino)methyl]heptane
SMILESCCCCC(CC)CNS(N)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-3-5-6-8(4-2)7-10-13(9,11)12/h8,10H,3-7H2,1-2H3,(H2,9,11,12)
InChIKeyLITFPCRZXQZXKS-UHFFFAOYSA-N
XLogP1.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(sulfamoylamino)methyl]heptane?
The IUPAC name of 3-[(sulfamoylamino)methyl]heptane (CID 87574850) is 3-[(sulfamoylamino)methyl]heptane.
What is the SMILES notation for 3-[(sulfamoylamino)methyl]heptane?
The canonical SMILES for 3-[(sulfamoylamino)methyl]heptane is CCCCC(CC)CNS(N)(=O)=O.
What is the InChIKey of 3-[(sulfamoylamino)methyl]heptane?
The InChIKey is LITFPCRZXQZXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-3-5-6-8(4-2)7-10-13(9,11)12/h8,10H,3-7H2,1-2H3,(H2,9,11,12).
What are the key properties of 3-[(sulfamoylamino)methyl]heptane?
3-[(sulfamoylamino)methyl]heptane has a molecular weight of 208.33 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(sulfamoylamino)methyl]heptane is sourced from PubChem (CID 87574850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).