5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride

C11H14ClNO2S2 — CID 11380769

IUPAC5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride
SMILESC=CCN(CC=C)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H14ClNO2S2/c1-3-7-13(8-4-2)9-10-5-6-11(16-10)17(12,14)15/h3-6H,1-2,7-9H2
InChIKeyRTSXKBQXXIFLKN-UHFFFAOYSA-N
MW291.83 g/mol
LogP2.85
Rot. Bonds7

About 5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride

5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride (PubChem CID 11380769) has the molecular formula C11H14ClNO2S2 and a molecular weight of 291.83 g/mol. Its IUPAC name is 5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride
PubChem CID11380769
Molecular FormulaC11H14ClNO2S2
Molecular Weight291.83 g/mol
Exact Mass291.02
IUPAC Name5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride
SMILESC=CCN(CC=C)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H14ClNO2S2/c1-3-7-13(8-4-2)9-10-5-6-11(16-10)17(12,14)15/h3-6H,1-2,7-9H2
InChIKeyRTSXKBQXXIFLKN-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 2531261
4-(2-Thienylmethyl)-1lambda6,4-thiazinane-1,1-dione
CID 2777268
5-(Aminomethyl)thiophene-2-sulfonamide hydrochloride
CID 16313695
(5-Methanesulfonylthiophen-2-yl)methanamine hydrochloride
CID 71756062
[5-(Ethanesulfonyl)thiophen-2-yl]methanamine hydrochloride
CID 91647541
5-(aminomethyl)-N,N-dimethylthiophene-2-sulfonamide
CID 16227241
(5-(Piperidin-1-ylsulfonyl)thiophen-2-yl)methanamine
CID 16227277
N-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine
CID 45822219
N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
CID 61363022
1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride
CID 155562169
N,N-bis(thiophen-2-ylmethyl)methanesulfonamide
CID 53519530
(5-(Piperidine-1-sulfonyl)thiophen-2-yl)methanamine hydrochloride
CID 16344811

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride (CID 11380769) is 5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride is C=CCN(CC=C)Cc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride?
The InChIKey is RTSXKBQXXIFLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S2/c1-3-7-13(8-4-2)9-10-5-6-11(16-10)17(12,14)15/h3-6H,1-2,7-9H2.
What are the key properties of 5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride?
5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride has a molecular weight of 291.83 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 11380769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).