1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine

C7H16N2O2S — CID 88703041

IUPAC1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine
SMILESCC(N)=CS(=O)(=O)CCN(C)C
InChIInChI=1S/C7H16N2O2S/c1-7(8)6-12(10,11)5-4-9(2)3/h6H,4-5,8H2,1-3H3
InChIKeyJFQGHHYDTWESEW-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.22
Rot. Bonds4

About 1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine

1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine (PubChem CID 88703041) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine
PubChem CID88703041
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine
SMILESCC(N)=CS(=O)(=O)CCN(C)C
InChIInChI=1S/C7H16N2O2S/c1-7(8)6-12(10,11)5-4-9(2)3/h6H,4-5,8H2,1-3H3
InChIKeyJFQGHHYDTWESEW-UHFFFAOYSA-N
XLogP-0.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine (CID 88703041) is 1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine is CC(N)=CS(=O)(=O)CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine?
The InChIKey is JFQGHHYDTWESEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(8)6-12(10,11)5-4-9(2)3/h6H,4-5,8H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine?
1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine has a molecular weight of 192.28 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylsulfonyl]prop-1-en-2-amine is sourced from PubChem (CID 88703041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).