2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate

C7H14N2O4S — CID 58003244

IUPAC2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate
SMILESC=CS(=O)(=O)CCOC(=O)NCCN
InChIInChI=1S/C7H14N2O4S/c1-2-14(11,12)6-5-13-7(10)9-4-3-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyWNXHODCFGOPOFG-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.77
Rot. Bonds6

About 2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate

2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate (PubChem CID 58003244) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate.

Molecular Properties

Compound Name2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate
PubChem CID58003244
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate
SMILESC=CS(=O)(=O)CCOC(=O)NCCN
InChIInChI=1S/C7H14N2O4S/c1-2-14(11,12)6-5-13-7(10)9-4-3-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyWNXHODCFGOPOFG-UHFFFAOYSA-N
XLogP-0.77
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide
CID 551576
2-(2-ethenylsulfonylethoxy)ethanol
CID 118674332
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide
CID 173355847
methyl N-(2-aminoethyl)carbamate;propane
CID 160898455
3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
1-(ethenylsulfonylmethoxy)-2-[2-(ethenylsulfonylmethoxy)ethoxy]ethane
CID 71341054
1,5-bis(ethenylsulfonyl)pentan-3-one
CID 14512333
butyl N-(2-sulfamoylethyl)carbamate
CID 151237062
2-aminoethylcarbamic acid;ethane-1,2-diamine
CID 173123668
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide
CID 88553408
2,3-dihydroxypropyl N-(2-aminoethyl)carbamate
CID 139478100

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate?
The IUPAC name of 2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate (CID 58003244) is 2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate.
What is the SMILES notation for 2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate?
The canonical SMILES for 2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate is C=CS(=O)(=O)CCOC(=O)NCCN.
What is the InChIKey of 2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate?
The InChIKey is WNXHODCFGOPOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-2-14(11,12)6-5-13-7(10)9-4-3-8/h2H,1,3-6,8H2,(H,9,10).
What are the key properties of 2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate?
2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate has a molecular weight of 222.27 g/mol, XLogP of -0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate is sourced from PubChem (CID 58003244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).