1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane

C7H19N3O3S — CID 104593934

IUPAC1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane
SMILESCC(O)CNCCNS(=O)(=O)N(C)C
InChIInChI=1S/C7H19N3O3S/c1-7(11)6-8-4-5-9-14(12,13)10(2)3/h7-9,11H,4-6H2,1-3H3
InChIKeyZFAUVFBEQKXTGS-UHFFFAOYSA-N
MW225.31 g/mol
LogP-1.65
Rot. Bonds7

About 1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane

1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane (PubChem CID 104593934) has the molecular formula C7H19N3O3S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane
PubChem CID104593934
Molecular FormulaC7H19N3O3S
Molecular Weight225.31 g/mol
Exact Mass225.11
IUPAC Name1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane
SMILESCC(O)CNCCNS(=O)(=O)N(C)C
InChIInChI=1S/C7H19N3O3S/c1-7(11)6-8-4-5-9-14(12,13)10(2)3/h7-9,11H,4-6H2,1-3H3
InChIKeyZFAUVFBEQKXTGS-UHFFFAOYSA-N
XLogP-1.65
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane (CID 104593934) is 1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane is CC(O)CNCCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane?
The InChIKey is ZFAUVFBEQKXTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O3S/c1-7(11)6-8-4-5-9-14(12,13)10(2)3/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane?
1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane has a molecular weight of 225.31 g/mol, XLogP of -1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropane is sourced from PubChem (CID 104593934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).