propyl N-acetylsulfamate

C5H11NO4S — CID 89168333

IUPACpropyl N-acetylsulfamate
SMILESCCCOS(=O)(=O)NC(C)=O
InChIInChI=1S/C5H11NO4S/c1-3-4-10-11(8,9)6-5(2)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyLFAAPUIJAVRTFB-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.21
Rot. Bonds4

About propyl N-acetylsulfamate

propyl N-acetylsulfamate (PubChem CID 89168333) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is propyl N-acetylsulfamate.

Molecular Properties

Compound Namepropyl N-acetylsulfamate
PubChem CID89168333
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Namepropyl N-acetylsulfamate
SMILESCCCOS(=O)(=O)NC(C)=O
InChIInChI=1S/C5H11NO4S/c1-3-4-10-11(8,9)6-5(2)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyLFAAPUIJAVRTFB-UHFFFAOYSA-N
XLogP-0.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 165129196
CID 165129196
CID 253729
CID 253729
CID 21014718
CID 21014718
CID 57765484
CID 57765484
CID 57765510
CID 57765510
CID 58608080
CID 58608080
CID 59848462
CID 59848462
CID 60068428
CID 60068428
CID 88078285
CID 88078285
CID 89168341
CID 89168341
CID 89191925
CID 89191925
CID 89930462
CID 89930462

Frequently Asked Questions

What is the IUPAC name of propyl N-acetylsulfamate?
The IUPAC name of propyl N-acetylsulfamate (CID 89168333) is propyl N-acetylsulfamate.
What is the SMILES notation for propyl N-acetylsulfamate?
The canonical SMILES for propyl N-acetylsulfamate is CCCOS(=O)(=O)NC(C)=O.
What is the InChIKey of propyl N-acetylsulfamate?
The InChIKey is LFAAPUIJAVRTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-3-4-10-11(8,9)6-5(2)7/h3-4H2,1-2H3,(H,6,7).
What are the key properties of propyl N-acetylsulfamate?
propyl N-acetylsulfamate has a molecular weight of 181.21 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-acetylsulfamate is sourced from PubChem (CID 89168333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).