5-(sulfamoylamino)pent-1-yne

C5H10N2O2S — CID 103698096

IUPAC5-(sulfamoylamino)pent-1-yne
SMILESC#CCCCNS(N)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-2-3-4-5-7-10(6,8)9/h1,7H,3-5H2,(H2,6,8,9)
InChIKeyXZAMGVFNYDYVPP-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.81
Rot. Bonds4

About 5-(sulfamoylamino)pent-1-yne

5-(sulfamoylamino)pent-1-yne (PubChem CID 103698096) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 5-(sulfamoylamino)pent-1-yne.

Molecular Properties

Compound Name5-(sulfamoylamino)pent-1-yne
PubChem CID103698096
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name5-(sulfamoylamino)pent-1-yne
SMILESC#CCCCNS(N)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-2-3-4-5-7-10(6,8)9/h1,7H,3-5H2,(H2,6,8,9)
InChIKeyXZAMGVFNYDYVPP-UHFFFAOYSA-N
XLogP-0.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(sulfamoylamino)pent-1-yne?
The IUPAC name of 5-(sulfamoylamino)pent-1-yne (CID 103698096) is 5-(sulfamoylamino)pent-1-yne.
What is the SMILES notation for 5-(sulfamoylamino)pent-1-yne?
The canonical SMILES for 5-(sulfamoylamino)pent-1-yne is C#CCCCNS(N)(=O)=O.
What is the InChIKey of 5-(sulfamoylamino)pent-1-yne?
The InChIKey is XZAMGVFNYDYVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-2-3-4-5-7-10(6,8)9/h1,7H,3-5H2,(H2,6,8,9).
What are the key properties of 5-(sulfamoylamino)pent-1-yne?
5-(sulfamoylamino)pent-1-yne has a molecular weight of 162.21 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(sulfamoylamino)pent-1-yne is sourced from PubChem (CID 103698096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).