(1-sulfamoylpyrrolidin-3-yl)urea

C5H12N4O3S — CID 130771017

IUPAC(1-sulfamoylpyrrolidin-3-yl)urea
SMILESNC(=O)NC1CCN(S(N)(=O)=O)C1
InChIInChI=1S/C5H12N4O3S/c6-5(10)8-4-1-2-9(3-4)13(7,11)12/h4H,1-3H2,(H3,6,8,10)(H2,7,11,12)
InChIKeyJEAIDXXVYNLAEL-UHFFFAOYSA-N
MW208.24 g/mol
LogP-2.07
Rot. Bonds2

About (1-sulfamoylpyrrolidin-3-yl)urea

(1-sulfamoylpyrrolidin-3-yl)urea (PubChem CID 130771017) has the molecular formula C5H12N4O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is (1-sulfamoylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name(1-sulfamoylpyrrolidin-3-yl)urea
PubChem CID130771017
Molecular FormulaC5H12N4O3S
Molecular Weight208.24 g/mol
Exact Mass208.06
IUPAC Name(1-sulfamoylpyrrolidin-3-yl)urea
SMILESNC(=O)NC1CCN(S(N)(=O)=O)C1
InChIInChI=1S/C5H12N4O3S/c6-5(10)8-4-1-2-9(3-4)13(7,11)12/h4H,1-3H2,(H3,6,8,10)(H2,7,11,12)
InChIKeyJEAIDXXVYNLAEL-UHFFFAOYSA-N
XLogP-2.07
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Pyrrolidin-3-yl)urea hydrochloride
CID 71757319
(Pyrrolidin-3-yl)urea
CID 13402006
[(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]urea
CID 140552167
3-Pyrrolidin-3-yl-1,1-bis(sulfanyl)urea
CID 57104030
(3S)-3-(methanesulfonamido)-N-methylpyrrolidine-1-carboxamide
CID 57698536
(3R)-3-(methanesulfonamido)-N-methylpyrrolidine-1-carboxamide
CID 57698544
(3R)-3-(dimethylsulfamoylamino)-N-methylpyrrolidine-1-carboxamide
CID 57698563
(3S)-3-(dimethylsulfamoylamino)-N-methylpyrrolidine-1-carboxamide
CID 57698569
(3S)-N-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrrolidine-1-carboxamide
CID 57698571
[(3S)-pyrrolidin-3-yl]urea
CID 59286153
(R)-1-(pyrrolidin-3-yl)urea
CID 59286189
N-[(3S)-pyrrolidin-3-yl]-2-(sulfamoylamino)acetamide
CID 89667641

Frequently Asked Questions

What is the IUPAC name of (1-sulfamoylpyrrolidin-3-yl)urea?
The IUPAC name of (1-sulfamoylpyrrolidin-3-yl)urea (CID 130771017) is (1-sulfamoylpyrrolidin-3-yl)urea.
What is the SMILES notation for (1-sulfamoylpyrrolidin-3-yl)urea?
The canonical SMILES for (1-sulfamoylpyrrolidin-3-yl)urea is NC(=O)NC1CCN(S(N)(=O)=O)C1.
What is the InChIKey of (1-sulfamoylpyrrolidin-3-yl)urea?
The InChIKey is JEAIDXXVYNLAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O3S/c6-5(10)8-4-1-2-9(3-4)13(7,11)12/h4H,1-3H2,(H3,6,8,10)(H2,7,11,12).
What are the key properties of (1-sulfamoylpyrrolidin-3-yl)urea?
(1-sulfamoylpyrrolidin-3-yl)urea has a molecular weight of 208.24 g/mol, XLogP of -2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-sulfamoylpyrrolidin-3-yl)urea is sourced from PubChem (CID 130771017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).