1-(dipropylsulfamoylamino)-3-hydroxypropane

C9H22N2O3S — CID 43501504

IUPAC1-(dipropylsulfamoylamino)-3-hydroxypropane
SMILESCCCN(CCC)S(=O)(=O)NCCCO
InChIInChI=1S/C9H22N2O3S/c1-3-7-11(8-4-2)15(13,14)10-6-5-9-12/h10,12H,3-9H2,1-2H3
InChIKeyBKRRRXBQXNCOCB-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.33
Rot. Bonds9

About 1-(dipropylsulfamoylamino)-3-hydroxypropane

1-(dipropylsulfamoylamino)-3-hydroxypropane (PubChem CID 43501504) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(dipropylsulfamoylamino)-3-hydroxypropane.

Molecular Properties

Compound Name1-(dipropylsulfamoylamino)-3-hydroxypropane
PubChem CID43501504
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name1-(dipropylsulfamoylamino)-3-hydroxypropane
SMILESCCCN(CCC)S(=O)(=O)NCCCO
InChIInChI=1S/C9H22N2O3S/c1-3-7-11(8-4-2)15(13,14)10-6-5-9-12/h10,12H,3-9H2,1-2H3
InChIKeyBKRRRXBQXNCOCB-UHFFFAOYSA-N
XLogP0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.33
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-(dipropylsulfamoylamino)-3-hydroxypropane?
The IUPAC name of 1-(dipropylsulfamoylamino)-3-hydroxypropane (CID 43501504) is 1-(dipropylsulfamoylamino)-3-hydroxypropane.
What is the SMILES notation for 1-(dipropylsulfamoylamino)-3-hydroxypropane?
The canonical SMILES for 1-(dipropylsulfamoylamino)-3-hydroxypropane is CCCN(CCC)S(=O)(=O)NCCCO.
What is the InChIKey of 1-(dipropylsulfamoylamino)-3-hydroxypropane?
The InChIKey is BKRRRXBQXNCOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-3-7-11(8-4-2)15(13,14)10-6-5-9-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-(dipropylsulfamoylamino)-3-hydroxypropane?
1-(dipropylsulfamoylamino)-3-hydroxypropane has a molecular weight of 238.35 g/mol, XLogP of 0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylsulfamoylamino)-3-hydroxypropane is sourced from PubChem (CID 43501504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).