3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane

C7H19N3O2S — CID 155135891

IUPAC3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane
SMILESCNCCC(C)CCNS(N)(=O)=O
InChIInChI=1S/C7H19N3O2S/c1-7(3-5-9-2)4-6-10-13(8,11)12/h7,9-10H,3-6H2,1-2H3,(H2,8,11,12)
InChIKeyXBIYPQBRBZPYPD-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.58
Rot. Bonds7

About 3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane

3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane (PubChem CID 155135891) has the molecular formula C7H19N3O2S and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane.

Molecular Properties

Compound Name3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane
PubChem CID155135891
Molecular FormulaC7H19N3O2S
Molecular Weight209.31 g/mol
Exact Mass209.12
IUPAC Name3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane
SMILESCNCCC(C)CCNS(N)(=O)=O
InChIInChI=1S/C7H19N3O2S/c1-7(3-5-9-2)4-6-10-13(8,11)12/h7,9-10H,3-6H2,1-2H3,(H2,8,11,12)
InChIKeyXBIYPQBRBZPYPD-UHFFFAOYSA-N
XLogP-0.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane?
The IUPAC name of 3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane (CID 155135891) is 3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane.
What is the SMILES notation for 3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane?
The canonical SMILES for 3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane is CNCCC(C)CCNS(N)(=O)=O.
What is the InChIKey of 3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane?
The InChIKey is XBIYPQBRBZPYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O2S/c1-7(3-5-9-2)4-6-10-13(8,11)12/h7,9-10H,3-6H2,1-2H3,(H2,8,11,12).
What are the key properties of 3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane?
3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane has a molecular weight of 209.31 g/mol, XLogP of -0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(methylamino)-5-(sulfamoylamino)pentane is sourced from PubChem (CID 155135891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).