1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine

C11H25N3O3S — CID 114135268

IUPAC1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine
SMILESCC(CNS(=O)(=O)N(C)CCCO)N1CCCC1
InChIInChI=1S/C11H25N3O3S/c1-11(14-7-3-4-8-14)10-12-18(16,17)13(2)6-5-9-15/h11-12,15H,3-10H2,1-2H3
InChIKeyLIIKBCQDCGGNGU-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.38
Rot. Bonds8

About 1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine

1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine (PubChem CID 114135268) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine
PubChem CID114135268
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine
SMILESCC(CNS(=O)(=O)N(C)CCCO)N1CCCC1
InChIInChI=1S/C11H25N3O3S/c1-11(14-7-3-4-8-14)10-12-18(16,17)13(2)6-5-9-15/h11-12,15H,3-10H2,1-2H3
InChIKeyLIIKBCQDCGGNGU-UHFFFAOYSA-N
XLogP-0.38
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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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Related Compounds

3-[(1-Propan-2-ylpyrrolidin-3-yl)amino]propan-1-ol
CID 61978890
3-[Methyl(pyrrolidin-3-yl)amino]propan-1-ol
CID 63301465
3-(3-Aminopyrrolidin-1-yl)butan-1-ol
CID 84071813
Ethane;1-methylpyrrolidin-3-amine;propan-1-ol
CID 144097353
3-[methyl-[(3S)-pyrrolidin-3-yl]amino]propan-1-ol
CID 156832815
(3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol
CID 166734928
ethane;3-[[(3R)-1-methylpyrrolidin-3-yl]amino]propan-1-ol
CID 178695157
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propan-1-ol
CID 178724882
N-(3-hydroxypropyl)pyrrolidine-1-sulfonamide
CID 43501574
N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide
CID 43501765
N-(1-hydroxypropan-2-yl)pyrrolidine-1-sulfonamide
CID 43502297
(3R,4R)-4-[dipropylsulfamoyl(methyl)amino]pyrrolidin-3-ol
CID 43598394

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine?
The IUPAC name of 1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine (CID 114135268) is 1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine.
What is the SMILES notation for 1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine?
The canonical SMILES for 1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine is CC(CNS(=O)(=O)N(C)CCCO)N1CCCC1.
What is the InChIKey of 1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine?
The InChIKey is LIIKBCQDCGGNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-11(14-7-3-4-8-14)10-12-18(16,17)13(2)6-5-9-15/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine?
1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine has a molecular weight of 279.41 g/mol, XLogP of -0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propan-2-yl]pyrrolidine is sourced from PubChem (CID 114135268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).