2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide

C8H18N2O2S — CID 60678238

IUPAC2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)CCN
InChIInChI=1S/C8H18N2O2S/c1-4-10(7-8(2)3)13(11,12)6-5-9/h2,4-7,9H2,1,3H3
InChIKeyKYSOVTRITDVNNI-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.17
Rot. Bonds6

About 2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide

2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide (PubChem CID 60678238) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide
PubChem CID60678238
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)CCN
InChIInChI=1S/C8H18N2O2S/c1-4-10(7-8(2)3)13(11,12)6-5-9/h2,4-7,9H2,1,3H3
InChIKeyKYSOVTRITDVNNI-UHFFFAOYSA-N
XLogP0.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide (CID 60678238) is 2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide is C=C(C)CN(CC)S(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide?
The InChIKey is KYSOVTRITDVNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-4-10(7-8(2)3)13(11,12)6-5-9/h2,4-7,9H2,1,3H3.
What are the key properties of 2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide?
2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide is sourced from PubChem (CID 60678238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).