butylsulfonylurea

C5H12N2O3S — CID 21473173

IUPACbutylsulfonylurea
SMILESCCCCS(=O)(=O)NC(N)=O
InChIInChI=1S/C5H12N2O3S/c1-2-3-4-11(9,10)7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKeyBKMYCYCJQUNQBL-UHFFFAOYSA-N
MW180.23 g/mol
LogP-0.22
Rot. Bonds4

About butylsulfonylurea

butylsulfonylurea (PubChem CID 21473173) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is butylsulfonylurea.

Molecular Properties

Compound Namebutylsulfonylurea
PubChem CID21473173
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Namebutylsulfonylurea
SMILESCCCCS(=O)(=O)NC(N)=O
InChIInChI=1S/C5H12N2O3S/c1-2-3-4-11(9,10)7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKeyBKMYCYCJQUNQBL-UHFFFAOYSA-N
XLogP-0.22
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethylsulfonylurea
CID 19365481
Cyclohexyl sulphonylurea
CID 20437194
Pentylsulfonylurea
CID 87232196
1,1-Bis(pentylsulfonyl)urea
CID 87375491
1-Pentylsulfonyl-1-sulfanylurea
CID 87734957
Pentylsulfonylsulfanylurea
CID 87745266
1,1-Bis(ethylsulfonyl)urea
CID 88187906
1,3-Bis(pentylsulfonyl)urea
CID 88248288
pentylsulfonylcarbamothioic S-acid
CID 88497950
Hexylsulfonylurea
CID 88600291
Tert-butylsulfonylurea
CID 90008511
N-cyanopropane-1-sulfonamide
CID 90801452

Frequently Asked Questions

What is the IUPAC name of butylsulfonylurea?
The IUPAC name of butylsulfonylurea (CID 21473173) is butylsulfonylurea.
What is the SMILES notation for butylsulfonylurea?
The canonical SMILES for butylsulfonylurea is CCCCS(=O)(=O)NC(N)=O.
What is the InChIKey of butylsulfonylurea?
The InChIKey is BKMYCYCJQUNQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-2-3-4-11(9,10)7-5(6)8/h2-4H2,1H3,(H3,6,7,8).
What are the key properties of butylsulfonylurea?
butylsulfonylurea has a molecular weight of 180.23 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfonylurea is sourced from PubChem (CID 21473173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).