1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane

C11H26N2O4S — CID 104600519

IUPAC1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane
SMILESCCCN(CCC)S(=O)(=O)NCCCOCCO
InChIInChI=1S/C11H26N2O4S/c1-3-7-13(8-4-2)18(15,16)12-6-5-10-17-11-9-14/h12,14H,3-11H2,1-2H3
InChIKeyHYDXUNOJUWPTBO-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.34
Rot. Bonds12

About 1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane

1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane (PubChem CID 104600519) has the molecular formula C11H26N2O4S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane.

Molecular Properties

Compound Name1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane
PubChem CID104600519
Molecular FormulaC11H26N2O4S
Molecular Weight282.41 g/mol
Exact Mass282.16
IUPAC Name1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane
SMILESCCCN(CCC)S(=O)(=O)NCCCOCCO
InChIInChI=1S/C11H26N2O4S/c1-3-7-13(8-4-2)18(15,16)12-6-5-10-17-11-9-14/h12,14H,3-11H2,1-2H3
InChIKeyHYDXUNOJUWPTBO-UHFFFAOYSA-N
XLogP0.34
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid
CID 79457740
1-[[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]amino]propane
CID 114809784
2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
CID 106309894
methanesulfonic acid;2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethanol
CID 71342368
N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide
CID 114135466
1-(diethylsulfamoylamino)-5-hydroxypentane
CID 107319491
2-hexoxyethanol;sulfuric acid
CID 87749798
1-cyano-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide
CID 104600508
2-butoxyethanol
CID 8133
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane
CID 103836357

Frequently Asked Questions

What is the IUPAC name of 1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane?
The IUPAC name of 1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane (CID 104600519) is 1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane.
What is the SMILES notation for 1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane?
The canonical SMILES for 1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane is CCCN(CCC)S(=O)(=O)NCCCOCCO.
What is the InChIKey of 1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane?
The InChIKey is HYDXUNOJUWPTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O4S/c1-3-7-13(8-4-2)18(15,16)12-6-5-10-17-11-9-14/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane?
1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane has a molecular weight of 282.41 g/mol, XLogP of 0.34, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane is sourced from PubChem (CID 104600519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).