4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide

C10H12N4O2S2 — CID 61299610

IUPAC4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide
SMILESN#CCCN(CCC#N)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C10H12N4O2S2/c11-3-1-5-14(6-2-4-12)18(15,16)10-7-9(13)8-17-10/h7-8H,1-2,5-6,13H2
InChIKeyVEWJGHLUQMYXQB-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.15
Rot. Bonds6

About 4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide

4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide (PubChem CID 61299610) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide
PubChem CID61299610
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide
SMILESN#CCCN(CCC#N)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C10H12N4O2S2/c11-3-1-5-14(6-2-4-12)18(15,16)10-7-9(13)8-17-10/h7-8H,1-2,5-6,13H2
InChIKeyVEWJGHLUQMYXQB-UHFFFAOYSA-N
XLogP1.15
TPSA110.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide (CID 61299610) is 4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide is N#CCCN(CCC#N)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide?
The InChIKey is VEWJGHLUQMYXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c11-3-1-5-14(6-2-4-12)18(15,16)10-7-9(13)8-17-10/h7-8H,1-2,5-6,13H2.
What are the key properties of 4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide?
4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide has a molecular weight of 284.37 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61299610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).