5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide

C7H11N3O2S2 — CID 172800896

IUPAC5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide
SMILESCS(=O)(=O)N=C(N)c1csc(CN)c1
InChIInChI=1S/C7H11N3O2S2/c1-14(11,12)10-7(9)5-2-6(3-8)13-4-5/h2,4H,3,8H2,1H3,(H2,9,10)
InChIKeyQVRCYAHDWDUAII-UHFFFAOYSA-N
MW233.32 g/mol
LogP-0.13
Rot. Bonds3

About 5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide

5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide (PubChem CID 172800896) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide.

Molecular Properties

Compound Name5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide
PubChem CID172800896
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC Name5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide
SMILESCS(=O)(=O)N=C(N)c1csc(CN)c1
InChIInChI=1S/C7H11N3O2S2/c1-14(11,12)10-7(9)5-2-6(3-8)13-4-5/h2,4H,3,8H2,1H3,(H2,9,10)
InChIKeyQVRCYAHDWDUAII-UHFFFAOYSA-N
XLogP-0.13
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea
CID 163225626
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[[4-(N'-methylsulfonylcarbamimidoyl)thiophen-2-yl]methyl]carbamate
CID 172855404
[(E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]amino] acetate
CID 163225694
[[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]amino] acetate;dihydrochloride
CID 174056696
5-(aminomethyl)thiophene-3-carboxamide;hydrochloride
CID 163226135
5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride
CID 22716030
N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide
CID 163225802
[4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine
CID 174311538
5-propylthiophene-3-carboxamide
CID 141324975
5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide
CID 79611666
tert-butyl 2-[5-(aminomethyl)thiophene-3-carboximidoyl]iminoacetate;hydrochloride
CID 172760046
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide?
The IUPAC name of 5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide (CID 172800896) is 5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide.
What is the SMILES notation for 5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide?
The canonical SMILES for 5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide is CS(=O)(=O)N=C(N)c1csc(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide?
The InChIKey is QVRCYAHDWDUAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c1-14(11,12)10-7(9)5-2-6(3-8)13-4-5/h2,4H,3,8H2,1H3,(H2,9,10).
What are the key properties of 5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide?
5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide has a molecular weight of 233.32 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide is sourced from PubChem (CID 172800896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).