3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine

C10H15NO4S2 — CID 173241464

IUPAC3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine
SMILESC=CS(=O)(=O)C=CCNCC=CS(=O)(=O)C=C
InChIInChI=1S/C10H15NO4S2/c1-3-16(12,13)9-5-7-11-8-6-10-17(14,15)4-2/h3-6,9-11H,1-2,7-8H2
InChIKeySQSSHAPVUCJKIR-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.72
Rot. Bonds8

About 3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine

3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine (PubChem CID 173241464) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine
PubChem CID173241464
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine
SMILESC=CS(=O)(=O)C=CCNCC=CS(=O)(=O)C=C
InChIInChI=1S/C10H15NO4S2/c1-3-16(12,13)9-5-7-11-8-6-10-17(14,15)4-2/h3-6,9-11H,1-2,7-8H2
InChIKeySQSSHAPVUCJKIR-UHFFFAOYSA-N
XLogP0.72
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-penta-1,4-dienylsulfonylpenta-1,4-diene
CID 173151693
1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene
CID 173451557
N-prop-2-enylbut-2-en-1-amine;sulfuric acid
CID 175332319
1-ethenylsulfonyl-2-(2-ethenylsulfonylethenoxy)ethene
CID 141151978
(E)-1-ethenylsulfonyl-2-methylsulfanylethene
CID 21429335
bis(1-ethenylsulfonylethene);methanol
CID 19939004
N-prop-2-enylpenta-2,4-dien-1-amine
CID 54219064
4-(prop-2-enylamino)but-2-enoic acid
CID 174638295
1-but-1-enylsulfonylbut-1-ene
CID 123705607
N-prop-2-enylprop-2-en-1-amine;dihydrochloride
CID 23073046
N-prop-2-enylprop-2-en-1-amine;hydrofluoride
CID 86146928
penta-1,4-diene-1-sulfonamide
CID 174872703

Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine?
The IUPAC name of 3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine (CID 173241464) is 3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine.
What is the SMILES notation for 3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine?
The canonical SMILES for 3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine is C=CS(=O)(=O)C=CCNCC=CS(=O)(=O)C=C.
What is the InChIKey of 3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine?
The InChIKey is SQSSHAPVUCJKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-3-16(12,13)9-5-7-11-8-6-10-17(14,15)4-2/h3-6,9-11H,1-2,7-8H2.
What are the key properties of 3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine?
3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine has a molecular weight of 277.37 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine is sourced from PubChem (CID 173241464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).