3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid

C9H20N2O5S — CID 66166481

IUPAC3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCC(O)C(=O)O
InChIInChI=1S/C9H20N2O5S/c1-3-5-11(6-4-2)17(15,16)10-7-8(12)9(13)14/h8,10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyBSBOCSCEZIMKKD-UHFFFAOYSA-N
MW268.33 g/mol
LogP-0.61
Rot. Bonds9

About 3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid

3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid (PubChem CID 66166481) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid
PubChem CID66166481
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Name3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCC(O)C(=O)O
InChIInChI=1S/C9H20N2O5S/c1-3-5-11(6-4-2)17(15,16)10-7-8(12)9(13)14/h8,10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyBSBOCSCEZIMKKD-UHFFFAOYSA-N
XLogP-0.61
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid?
The IUPAC name of 3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid (CID 66166481) is 3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid is CCCN(CCC)S(=O)(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid?
The InChIKey is BSBOCSCEZIMKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S/c1-3-5-11(6-4-2)17(15,16)10-7-8(12)9(13)14/h8,10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid?
3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid has a molecular weight of 268.33 g/mol, XLogP of -0.61, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylsulfamoylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 66166481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).