1-(diethylsulfamoylamino)pentane

C9H22N2O2S — CID 86916767

IUPAC1-(diethylsulfamoylamino)pentane
SMILESCCCCCNS(=O)(=O)N(CC)CC
InChIInChI=1S/C9H22N2O2S/c1-4-7-8-9-10-14(12,13)11(5-2)6-3/h10H,4-9H2,1-3H3
InChIKeyWLFOXESRBQYAFW-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.35
Rot. Bonds8

About 1-(diethylsulfamoylamino)pentane

1-(diethylsulfamoylamino)pentane (PubChem CID 86916767) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)pentane.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)pentane
PubChem CID86916767
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name1-(diethylsulfamoylamino)pentane
SMILESCCCCCNS(=O)(=O)N(CC)CC
InChIInChI=1S/C9H22N2O2S/c1-4-7-8-9-10-14(12,13)11(5-2)6-3/h10H,4-9H2,1-3H3
InChIKeyWLFOXESRBQYAFW-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
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 1-(diethylsulfamoylamino)pentane?
The IUPAC name of 1-(diethylsulfamoylamino)pentane (CID 86916767) is 1-(diethylsulfamoylamino)pentane.
What is the SMILES notation for 1-(diethylsulfamoylamino)pentane?
The canonical SMILES for 1-(diethylsulfamoylamino)pentane is CCCCCNS(=O)(=O)N(CC)CC.
What is the InChIKey of 1-(diethylsulfamoylamino)pentane?
The InChIKey is WLFOXESRBQYAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-4-7-8-9-10-14(12,13)11(5-2)6-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-(diethylsulfamoylamino)pentane?
1-(diethylsulfamoylamino)pentane has a molecular weight of 222.35 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoylamino)pentane is sourced from PubChem (CID 86916767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).