N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide

C10H14BrNOS — CID 106441483

IUPACN-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CCCBr)s1
InChIInChI=1S/C10H14BrNOS/c1-8-4-5-9(14-8)10(13)12(2)7-3-6-11/h4-5H,3,6-7H2,1-2H3
InChIKeyRPIUJMJAVWIIRS-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.91
Rot. Bonds4

About N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide

N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide (PubChem CID 106441483) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide
PubChem CID106441483
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC NameN-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CCCBr)s1
InChIInChI=1S/C10H14BrNOS/c1-8-4-5-9(14-8)10(13)12(2)7-3-6-11/h4-5H,3,6-7H2,1-2H3
InChIKeyRPIUJMJAVWIIRS-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-methylthiadiazole-5-carboxamide
CID 106441440
5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414823
N,5-dimethylthiophene-2-carbohydrazide
CID 90946987
N-(5-bromopentyl)-N,4-dimethylbenzamide
CID 107206029
N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide
CID 106441473
N-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 78800736
N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 106441445
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118
N-(3-bromopropyl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 106441431
N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 55207587
N-(3-bromopropyl)-4-ethyl-N-methylbenzamide
CID 106441145

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide (CID 106441483) is N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide is Cc1ccc(C(=O)N(C)CCCBr)s1.
What is the InChIKey of N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is RPIUJMJAVWIIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-8-4-5-9(14-8)10(13)12(2)7-3-6-11/h4-5H,3,6-7H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide?
N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 276.20 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 106441483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).