(3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol

C11H25N3O3S — CID 43598394

IUPAC(3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol
SMILESCCCN(CCC)S(=O)(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C11H25N3O3S/c1-4-6-14(7-5-2)18(16,17)13(3)10-8-12-9-11(10)15/h10-12,15H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyGUACGBCXFXFMTJ-GHMZBOCLSA-N
MW279.41 g/mol
LogP-0.38
Rot. Bonds7

About (3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol

(3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol (PubChem CID 43598394) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is (3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol
PubChem CID43598394
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name(3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol
SMILESCCCN(CCC)S(=O)(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C11H25N3O3S/c1-4-6-14(7-5-2)18(16,17)13(3)10-8-12-9-11(10)15/h10-12,15H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyGUACGBCXFXFMTJ-GHMZBOCLSA-N
XLogP-0.38
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol (CID 43598394) is (3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol is CCCN(CCC)S(=O)(=O)N(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of (3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol?
The InChIKey is GUACGBCXFXFMTJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-4-6-14(7-5-2)18(16,17)13(3)10-8-12-9-11(10)15/h10-12,15H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol?
(3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol has a molecular weight of 279.41 g/mol, XLogP of -0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 43598394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).