N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide

C7H9BrN2O2S2 — CID 15599372

IUPACN'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H9BrN2O2S2/c1-10(2)5-9-14(11,12)7-4-3-6(8)13-7/h3-5H,1-2H3/b9-5+
InChIKeySQXPQOHYLPTCHJ-WEVVVXLNSA-N
MW297.20 g/mol
LogP1.79
Rot. Bonds3

About N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide

N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 15599372) has the molecular formula C7H9BrN2O2S2 and a molecular weight of 297.20 g/mol. Its IUPAC name is N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide
PubChem CID15599372
Molecular FormulaC7H9BrN2O2S2
Molecular Weight297.20 g/mol
Exact Mass295.93
IUPAC NameN'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H9BrN2O2S2/c1-10(2)5-9-14(11,12)7-4-3-6(8)13-7/h3-5H,1-2H3/b9-5+
InChIKeySQXPQOHYLPTCHJ-WEVVVXLNSA-N
XLogP1.79
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide;N-(dimethoxymethyl)-N-ethylethanamine
CID 161480159
N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide
CID 87894923
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
CID 62067638
(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid
CID 67189352
N'-[5-[4,5-bis(3-chloropropoxy)-2-methylphenyl]thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide
CID 68659270
5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 71642494
N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide
CID 165176417
N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide
CID 8616801
4-[(5-bromothiophen-2-yl)sulfonyl-methylamino]butanoic acid
CID 43090805
N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide
CID 43458476
5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 46353490
5-bromothiophene-2-sulfonohydrazide
CID 23464136

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide (CID 15599372) is N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide is CN(C)/C=N/S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is SQXPQOHYLPTCHJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H9BrN2O2S2/c1-10(2)5-9-14(11,12)7-4-3-6(8)13-7/h3-5H,1-2H3/b9-5+.
What are the key properties of N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide?
N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 297.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 15599372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).