1-(diethylsulfamoylamino)-3-hydroxypropane

C7H18N2O3S — CID 43501568

IUPAC1-(diethylsulfamoylamino)-3-hydroxypropane
SMILESCCN(CC)S(=O)(=O)NCCCO
InChIInChI=1S/C7H18N2O3S/c1-3-9(4-2)13(11,12)8-6-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyDEYVHXCUUMXGTF-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.46
Rot. Bonds7

About 1-(diethylsulfamoylamino)-3-hydroxypropane

1-(diethylsulfamoylamino)-3-hydroxypropane (PubChem CID 43501568) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)-3-hydroxypropane.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)-3-hydroxypropane
PubChem CID43501568
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name1-(diethylsulfamoylamino)-3-hydroxypropane
SMILESCCN(CC)S(=O)(=O)NCCCO
InChIInChI=1S/C7H18N2O3S/c1-3-9(4-2)13(11,12)8-6-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyDEYVHXCUUMXGTF-UHFFFAOYSA-N
XLogP-0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-3-hydroxypropane?
The IUPAC name of 1-(diethylsulfamoylamino)-3-hydroxypropane (CID 43501568) is 1-(diethylsulfamoylamino)-3-hydroxypropane.
What is the SMILES notation for 1-(diethylsulfamoylamino)-3-hydroxypropane?
The canonical SMILES for 1-(diethylsulfamoylamino)-3-hydroxypropane is CCN(CC)S(=O)(=O)NCCCO.
What is the InChIKey of 1-(diethylsulfamoylamino)-3-hydroxypropane?
The InChIKey is DEYVHXCUUMXGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-3-9(4-2)13(11,12)8-6-5-7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(diethylsulfamoylamino)-3-hydroxypropane?
1-(diethylsulfamoylamino)-3-hydroxypropane has a molecular weight of 210.30 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoylamino)-3-hydroxypropane is sourced from PubChem (CID 43501568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).