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

C9H21N3O3S — CID 114760127

IUPAC3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine
SMILESCC(C)N(C)S(=O)(=O)NCC1(O)CCNC1
InChIInChI=1S/C9H21N3O3S/c1-8(2)12(3)16(14,15)11-7-9(13)4-5-10-6-9/h8,10-11,13H,4-7H2,1-3H3
InChIKeyXXDFRSHPJWFUSN-UHFFFAOYSA-N
MW251.35 g/mol
LogP-1.11
Rot. Bonds5

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

3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine (PubChem CID 114760127) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine.

Molecular Properties

Compound Name3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine
PubChem CID114760127
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine
SMILESCC(C)N(C)S(=O)(=O)NCC1(O)CCNC1
InChIInChI=1S/C9H21N3O3S/c1-8(2)12(3)16(14,15)11-7-9(13)4-5-10-6-9/h8,10-11,13H,4-7H2,1-3H3
InChIKeyXXDFRSHPJWFUSN-UHFFFAOYSA-N
XLogP-1.11
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine?
The IUPAC name of 3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine (CID 114760127) is 3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine.
What is the SMILES notation for 3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine?
The canonical SMILES for 3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine is CC(C)N(C)S(=O)(=O)NCC1(O)CCNC1.
What is the InChIKey of 3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine?
The InChIKey is XXDFRSHPJWFUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-8(2)12(3)16(14,15)11-7-9(13)4-5-10-6-9/h8,10-11,13H,4-7H2,1-3H3.
What are the key properties of 3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine?
3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine has a molecular weight of 251.35 g/mol, XLogP of -1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine is sourced from PubChem (CID 114760127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).