N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide

C9H10Cl2N2OS — CID 107963472

IUPACN-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide
SMILESNC1CC(NC(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C9H10Cl2N2OS/c10-7-3-6(8(11)15-7)9(14)13-5-1-4(12)2-5/h3-5H,1-2,12H2,(H,13,14)
InChIKeyKBPWBASGBFDZHV-UHFFFAOYSA-N
MW265.17 g/mol
LogP2.27
Rot. Bonds2

About N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide

N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 107963472) has the molecular formula C9H10Cl2N2OS and a molecular weight of 265.17 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID107963472
Molecular FormulaC9H10Cl2N2OS
Molecular Weight265.17 g/mol
Exact Mass263.99
IUPAC NameN-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide
SMILESNC1CC(NC(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C9H10Cl2N2OS/c10-7-3-6(8(11)15-7)9(14)13-5-1-4(12)2-5/h3-5H,1-2,12H2,(H,13,14)
InChIKeyKBPWBASGBFDZHV-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.17
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride
CID 119476389
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 103805907
2,5-dichloro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119387750
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 2815508
N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide
CID 66482226
2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790685
N-(2-bromocycloheptyl)-2,5-dichlorothiophene-3-carboxamide
CID 107966231
N-(3-aminocyclobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238929
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 106366353
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442
N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide
CID 43630056
(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103821494

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide (CID 107963472) is N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide is NC1CC(NC(=O)c2cc(Cl)sc2Cl)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is KBPWBASGBFDZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2OS/c10-7-3-6(8(11)15-7)9(14)13-5-1-4(12)2-5/h3-5H,1-2,12H2,(H,13,14).
What are the key properties of N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide?
N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 265.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 107963472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).