2-methyl-3-(sulfamoylamino)pentane

C6H16N2O2S — CID 112686448

IUPAC2-methyl-3-(sulfamoylamino)pentane
SMILESCCC(NS(N)(=O)=O)C(C)C
InChIInChI=1S/C6H16N2O2S/c1-4-6(5(2)3)8-11(7,9)10/h5-6,8H,4H2,1-3H3,(H2,7,9,10)
InChIKeyVIPVACYINYAFEV-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.21
Rot. Bonds4

About 2-methyl-3-(sulfamoylamino)pentane

2-methyl-3-(sulfamoylamino)pentane (PubChem CID 112686448) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-methyl-3-(sulfamoylamino)pentane.

Molecular Properties

Compound Name2-methyl-3-(sulfamoylamino)pentane
PubChem CID112686448
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name2-methyl-3-(sulfamoylamino)pentane
SMILESCCC(NS(N)(=O)=O)C(C)C
InChIInChI=1S/C6H16N2O2S/c1-4-6(5(2)3)8-11(7,9)10/h5-6,8H,4H2,1-3H3,(H2,7,9,10)
InChIKeyVIPVACYINYAFEV-UHFFFAOYSA-N
XLogP0.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(sulfamoylamino)pentane?
The IUPAC name of 2-methyl-3-(sulfamoylamino)pentane (CID 112686448) is 2-methyl-3-(sulfamoylamino)pentane.
What is the SMILES notation for 2-methyl-3-(sulfamoylamino)pentane?
The canonical SMILES for 2-methyl-3-(sulfamoylamino)pentane is CCC(NS(N)(=O)=O)C(C)C.
What is the InChIKey of 2-methyl-3-(sulfamoylamino)pentane?
The InChIKey is VIPVACYINYAFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-4-6(5(2)3)8-11(7,9)10/h5-6,8H,4H2,1-3H3,(H2,7,9,10).
What are the key properties of 2-methyl-3-(sulfamoylamino)pentane?
2-methyl-3-(sulfamoylamino)pentane has a molecular weight of 180.27 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(sulfamoylamino)pentane is sourced from PubChem (CID 112686448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).