4-methyl-1-(sulfamoylamino)pentane

C6H16N2O2S — CID 59849306

IUPAC4-methyl-1-(sulfamoylamino)pentane
SMILESCC(C)CCCNS(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-6(2)4-3-5-8-11(7,9)10/h6,8H,3-5H2,1-2H3,(H2,7,9,10)
InChIKeyDUMDLDZSCMWGNT-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.22
Rot. Bonds5

About 4-methyl-1-(sulfamoylamino)pentane

4-methyl-1-(sulfamoylamino)pentane (PubChem CID 59849306) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 4-methyl-1-(sulfamoylamino)pentane.

Molecular Properties

Compound Name4-methyl-1-(sulfamoylamino)pentane
PubChem CID59849306
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name4-methyl-1-(sulfamoylamino)pentane
SMILESCC(C)CCCNS(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-6(2)4-3-5-8-11(7,9)10/h6,8H,3-5H2,1-2H3,(H2,7,9,10)
InChIKeyDUMDLDZSCMWGNT-UHFFFAOYSA-N
XLogP0.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(sulfamoylamino)pentane?
The IUPAC name of 4-methyl-1-(sulfamoylamino)pentane (CID 59849306) is 4-methyl-1-(sulfamoylamino)pentane.
What is the SMILES notation for 4-methyl-1-(sulfamoylamino)pentane?
The canonical SMILES for 4-methyl-1-(sulfamoylamino)pentane is CC(C)CCCNS(N)(=O)=O.
What is the InChIKey of 4-methyl-1-(sulfamoylamino)pentane?
The InChIKey is DUMDLDZSCMWGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-6(2)4-3-5-8-11(7,9)10/h6,8H,3-5H2,1-2H3,(H2,7,9,10).
What are the key properties of 4-methyl-1-(sulfamoylamino)pentane?
4-methyl-1-(sulfamoylamino)pentane has a molecular weight of 180.27 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(sulfamoylamino)pentane is sourced from PubChem (CID 59849306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).