2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide

C9H14N2O6S2 — CID 118968619

IUPAC2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide
SMILESC=CS(=O)(=O)CC(=O)NCCNC(=O)S(=O)(=O)C=C
InChIInChI=1S/C9H14N2O6S2/c1-3-18(14,15)7-8(12)10-5-6-11-9(13)19(16,17)4-2/h3-4H,1-2,5-7H2,(H,10,12)(H,11,13)
InChIKeyPOUQAZZCIOJYBR-UHFFFAOYSA-N
MW310.35 g/mol
LogP-1.07
Rot. Bonds7

About 2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide

2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide (PubChem CID 118968619) has the molecular formula C9H14N2O6S2 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide
PubChem CID118968619
Molecular FormulaC9H14N2O6S2
Molecular Weight310.35 g/mol
Exact Mass310.03
IUPAC Name2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide
SMILESC=CS(=O)(=O)CC(=O)NCCNC(=O)S(=O)(=O)C=C
InChIInChI=1S/C9H14N2O6S2/c1-3-18(14,15)7-8(12)10-5-6-11-9(13)19(16,17)4-2/h3-4H,1-2,5-7H2,(H,10,12)(H,11,13)
InChIKeyPOUQAZZCIOJYBR-UHFFFAOYSA-N
XLogP-1.07
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide
CID 551576
2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide
CID 88713858
2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate
CID 58003244
sodium;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]propanamide;propanoate
CID 165030034
tert-butyl 2-ethenylsulfonylacetate
CID 119031248
1-(ethenylsulfonylmethoxy)-2-[2-(ethenylsulfonylmethoxy)ethoxy]ethane
CID 71341054
1,5-bis(ethenylsulfonyl)pentan-3-one
CID 14512333
N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide
CID 84674340
2-(2-ethenylsulfonylethylamino)ethanol
CID 170994320
(2R)-3-ethenylsulfonyl-2-methylpropanamide
CID 6950445
N-propyl-2-propylsulfonylacetamide
CID 86989509
1-ethenylsulfonyl-3-methylnonan-2-one
CID 166735766

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide?
The IUPAC name of 2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide (CID 118968619) is 2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide.
What is the SMILES notation for 2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide?
The canonical SMILES for 2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide is C=CS(=O)(=O)CC(=O)NCCNC(=O)S(=O)(=O)C=C.
What is the InChIKey of 2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide?
The InChIKey is POUQAZZCIOJYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O6S2/c1-3-18(14,15)7-8(12)10-5-6-11-9(13)19(16,17)4-2/h3-4H,1-2,5-7H2,(H,10,12)(H,11,13).
What are the key properties of 2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide?
2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide has a molecular weight of 310.35 g/mol, XLogP of -1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide is sourced from PubChem (CID 118968619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).